<?xml version="1.0"?>
<rdf:RDF xmlns="./mambo.owl#"
xml:base="./mambo.owl"
xmlns:owl="http://www.w3.org/2002/07/owl#"
xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
xmlns:xml="http://www.w3.org/XML/1998/namespace"
xmlns:xsd="http://www.w3.org/2001/XMLSchema#"
xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#"
xmlns:mambo="file:/home/fabio/Projects/MAMBO/mambo.owl#"
xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#">
<owl:Ontology rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl">
<!-- <dc:description rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MAMBO, the Materials And Molecules Basic Ontology, describes chemical and physical entities related to materials where molecules and their mutual displacement are crucial to the final property of the material itself.</dc:description> -->
<!-- <dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Materials And Molecules Basic Ontology</dc:title> -->
<!-- <terms:license rdf:resource="http://creativecommons.org/licenses/by/4.0/"/> -->
<!-- <oboInOwl:saved-by rdf:datatype="http://www.w3.org/2001/XMLSchema#string">egolep</oboInOwl:saved-by> -->
</owl:Ontology>
<!--
///////////////////////////////////////////////////////////////////////////////////////
//
// Annotation properties
//
///////////////////////////////////////////////////////////////////////////////////////
-->
<!-- http://www.geneontology.org/formats/oboInOwl#id -->
<owl:AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
<!--
///////////////////////////////////////////////////////////////////////////////////////
//
// Object Properties
//
///////////////////////////////////////////////////////////////////////////////////////
-->
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#corresponds_to_angle -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#corresponds_to_angle">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topObjectProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#ThreeBody"/>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Angle"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#corresponds_to_bond -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#corresponds_to_bond">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topObjectProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#TwoBody"/>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Bond"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#corresponds_to_dihedral -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#corresponds_to_dihedral">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topObjectProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#FourBody"/>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Dihedral"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#first_atom -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#first_atom">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topObjectProperty"/>
<rdfs:domain>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Angle"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Bond"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Dihedral"/>
</owl:unionOf>
</owl:Class>
</rdfs:domain>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Atom"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#fourth_atom -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#fourth_atom">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topObjectProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Dihedral"/>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Atom"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#has_COM_coordinates -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#has_COM_coordinates">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topObjectProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularSystem"/>
<rdfs:range>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#CartesianCoordinates"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#SphericalCoordinates"/>
</owl:unionOf>
</owl:Class>
</rdfs:range>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#has_angle -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#has_angle">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topObjectProperty"/>
<rdfs:domain>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularSystem"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#StructuralUnit"/>
</owl:unionOf>
</owl:Class>
</rdfs:domain>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Angle"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#has_barostat -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#has_barostat">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topObjectProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Algorithm"/>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Barostat"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#has_bond -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#has_bond">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topObjectProperty"/>
<rdfs:domain>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularSystem"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#StructuralUnit"/>
</owl:unionOf>
</owl:Class>
</rdfs:domain>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Bond"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#has_component -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#has_component">
<rdfs:domain>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#BondedPotential"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#NonBondedPotential"/>
</owl:unionOf>
</owl:Class>
</rdfs:domain>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#PotentialComponents"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#has_computational_input -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#has_computational_input">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Simulation"/>
<rdfs:range>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Property"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Structure"/>
</owl:unionOf>
</owl:Class>
</rdfs:range>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#has_computational_output -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#has_computational_output">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topObjectProperty"/>
<owl:inverseOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#is_computed_by"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Simulation"/>
<rdfs:range>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Property"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Structure"/>
</owl:unionOf>
</owl:Class>
</rdfs:range>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#has_coordinates -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#has_coordinates">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topObjectProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Atom"/>
<rdfs:range>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#CartesianCoordinates"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#SphericalCoordinates"/>
</owl:unionOf>
</owl:Class>
</rdfs:range>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#has_dihedral -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#has_dihedral">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topObjectProperty"/>
<rdfs:domain>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularSystem"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#StructuralUnit"/>
</owl:unionOf>
</owl:Class>
</rdfs:domain>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Dihedral"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#has_ensemble -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#has_ensemble">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularDynamics"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#has_experimental_input -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#has_experimental_input">
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#TransitiveProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Experiment"/>
<rdfs:range>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Property"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Structure"/>
</owl:unionOf>
</owl:Class>
</rdfs:range>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#has_experimental_output -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#has_experimental_output">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topObjectProperty"/>
<owl:inverseOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#is_measured_by"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Experiment"/>
<rdfs:range>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Property"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Structure"/>
</owl:unionOf>
</owl:Class>
</rdfs:range>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#has_integrated_atom -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#has_integrated_atom">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#ExternalCoupling"/>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Atom"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#has_integrator -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#has_integrator">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularDynamics"/>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Integrator"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#has_interaction_potential -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#has_interaction_potential">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topObjectProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#ComputationalMethod"/>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#InteractionPotential"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#has_property -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#has_property">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Material"/>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Property"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#has_structural_entity -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#has_structural_entity">
<owl:inverseOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#is_structural_entity_of"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Structure"/>
<rdfs:range>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Atom"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularAggregate"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularSystem"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Particle"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#StructuralEntity"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#StructuralUnit"/>
</owl:unionOf>
</owl:Class>
</rdfs:range>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#has_structure -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#has_structure">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Material"/>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Structure"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#has_subunit -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#has_subunit">
<owl:inverseOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#is_part_of"/>
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#TransitiveProperty"/>
<rdfs:domain>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularAggregate"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularSystem"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Particle"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#StructuralUnit"/>
</owl:unionOf>
</owl:Class>
</rdfs:domain>
<rdfs:range>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Atom"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularSystem"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Particle"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#StructuralUnit"/>
</owl:unionOf>
</owl:Class>
</rdfs:range>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#has_thermostat -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#has_thermostat">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topObjectProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Algorithm"/>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Thermostat"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#is_computed_by -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#is_computed_by">
<rdfs:domain>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Property"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Structure"/>
</owl:unionOf>
</owl:Class>
</rdfs:domain>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Simulation"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#is_measured_by -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#is_measured_by">
<rdfs:domain>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Property"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Structure"/>
</owl:unionOf>
</owl:Class>
</rdfs:domain>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Experiment"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#is_part_of -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#is_part_of">
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#TransitiveProperty"/>
<rdfs:domain>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Atom"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularSystem"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Particle"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#StructuralUnit"/>
</owl:unionOf>
</owl:Class>
</rdfs:domain>
<rdfs:range>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularAggregate"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularSystem"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Particle"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#StructuralUnit"/>
</owl:unionOf>
</owl:Class>
</rdfs:range>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#is_structural_entity_of -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#is_structural_entity_of">
<rdfs:domain>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Atom"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularAggregate"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularSystem"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Particle"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#StructuralEntity"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#StructuralUnit"/>
</owl:unionOf>
</owl:Class>
</rdfs:domain>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Structure"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#second_atom -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#second_atom">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topObjectProperty"/>
<rdfs:domain>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Angle"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Bond"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Dihedral"/>
</owl:unionOf>
</owl:Class>
</rdfs:domain>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Atom"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#third_atom -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#third_atom">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topObjectProperty"/>
<rdfs:domain>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Angle"/>
<rdf:Description rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Dihedral"/>
</owl:unionOf>
</owl:Class>
</rdfs:domain>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Atom"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#use_algorithm -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#use_algorithm">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#ComputationalMethod"/>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Algorithm"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#use_computational_method -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#use_computational_method">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Simulation"/>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#ComputationalMethod"/>
</owl:ObjectProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#use_experimental_method -->
<owl:ObjectProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#use_experimental_method">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Experiment"/>
<rdfs:range rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#ExperimentalMethod"/>
</owl:ObjectProperty>
<!--
///////////////////////////////////////////////////////////////////////////////////////
//
// Data properties
//
///////////////////////////////////////////////////////////////////////////////////////
-->
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#ID -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#ID">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Simulation"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#X -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#X">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#CartesianCoordinates"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#Y -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Y">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#CartesianCoordinates"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#Z -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Z">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#CartesianCoordinates"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#algorithm_type -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#algorithm_type">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Algorithm"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#atomic_number -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#atomic_number">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Atom"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#integer"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#azimuthal_angle -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#azimuthal_angle">
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#SphericalCoordinates"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#bond_type -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#bond_type">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#TwoBody"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#box_dimension -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#box_dimension">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#charge -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#charge">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Atom"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularSystem"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Particle"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#StructuralUnit"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#decimal"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#composition -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#composition">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularSystem"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#coulomb_cutoff -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#coulomb_cutoff">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#dihedral_coefficient_1 -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#dihedral_coefficient_1">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#FourBody"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#dihedral_coefficient_2 -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#dihedral_coefficient_2">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#FourBody"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#dihedral_coefficient_3 -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#dihedral_coefficient_3">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#FourBody"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#dihedral_coefficient_4 -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#dihedral_coefficient_4">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#FourBody"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#dihedral_coefficient_5 -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#dihedral_coefficient_5">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#FourBody"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#dihedral_coefficient_6 -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#dihedral_coefficient_6">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#FourBody"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#element_11 -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#element_11">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#RotationMatrix"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#element_12 -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#element_12">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#RotationMatrix"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#element_13 -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#element_13">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#RotationMatrix"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#element_21 -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#element_21">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#RotationMatrix"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#element_22 -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#element_22">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#RotationMatrix"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#element_23 -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#element_23">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#RotationMatrix"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#element_31 -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#element_31">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#RotationMatrix"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#element_32 -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#element_32">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#RotationMatrix"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#element_33 -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#element_33">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#RotationMatrix"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#energy_threshold -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#energy_threshold">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Algorithm"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#epsilon -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#epsilon">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#TwoBody"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#equilibrium_distance -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#equilibrium_distance">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#TwoBody"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#equilibrium_value -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#equilibrium_value">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#ThreeBody"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#force_constant -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#force_constant">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#TwoBody"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#force_threshold -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#force_threshold">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Algorithm"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#formula -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#formula">
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularSystem"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Particle"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#StructuralUnit"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#function_type -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#function_type">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#i -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#i">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Quaternion"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#interaction_potential_type -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#interaction_potential_type">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#InteractionPotential"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#j -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#j">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Quaternion"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#k -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#k">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Quaternion"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#log -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#log">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Experiment"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
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<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#mass -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#mass">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#max_number_of_steps -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#max_number_of_steps">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Algorithm"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#int"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#number_of_atoms -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#number_of_atoms">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularSystem"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#integer"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#number_of_molecules -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#number_of_molecules">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularAggregate"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#integer"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#number_of_timesteps -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#number_of_timesteps">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
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<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#pair_type -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#pair_type">
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<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#polar_angle -->
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<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#SphericalCoordinates"/>
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<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#pressure -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#pressure">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Barostat"/>
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<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#purpose -->
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<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Material"/>
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<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#radial_distance -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#radial_distance">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#SphericalCoordinates"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#real_part -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#real_part">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Quaternion"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#short_range_cutoff -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#short_range_cutoff">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#sigma -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#sigma">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#TwoBody"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#spacegroup -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#spacegroup">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Structure"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#symbol -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#symbol">
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Atom"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#target_pressure -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#target_pressure">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Barostat"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#target_temperature -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#target_temperature">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Thermostat"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#temperature -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#temperature">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Thermostat"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#time_constant -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#time_constant">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#ExternalCoupling"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#timestep -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#timestep">
<rdfs:subPropertyOf rdf:resource="http://www.w3.org/2002/07/owl#topDataProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Algorithm"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#unit -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#unit">
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#FunctionalProperty"/>
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Property"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
</owl:DatatypeProperty>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#value -->
<owl:DatatypeProperty rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#value">
<rdfs:domain rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Property"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<!--
///////////////////////////////////////////////////////////////////////////////////////
//
// Classes
//
///////////////////////////////////////////////////////////////////////////////////////
-->
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#Algorithm -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Algorithm">
<rdfs:comment>The algorithm used in a computational method</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#Angle -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Angle">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#TopologicalEntities"/>
<rdfs:comment>The angle between two atoms</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#Atom -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Atom">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#StructuralEntity"/>
<rdfs:subClassOf>
<owl:Class>
<owl:intersectionOf rdf:parseType="Collection">
<owl:Restriction>
<owl:onProperty rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#atomic_number"/>
<owl:qualifiedCardinality rdf:datatype="http://www.w3.org/2001/XMLSchema#nonNegativeInteger">1</owl:qualifiedCardinality>
<owl:onDataRange rdf:resource="http://www.w3.org/2001/XMLSchema#integer"/>
</owl:Restriction>
<owl:Restriction>
<owl:onProperty rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#symbol"/>
<owl:qualifiedCardinality rdf:datatype="http://www.w3.org/2001/XMLSchema#nonNegativeInteger">1</owl:qualifiedCardinality>
<owl:onDataRange rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
</owl:Restriction>
</owl:intersectionOf>
</owl:Class>
</rdfs:subClassOf>
<owl:disjointWith rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularAggregate"/>
<owl:disjointWith rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularSystem"/>
<owl:disjointWith rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Particle"/>
<owl:disjointWith rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#StructuralUnit"/>
<owl:disjointWith rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Structure"/>
<rdfs:comment>An elementary constituent of matter, made of a nucleus and electrons</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#Barostat -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Barostat">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#ExternalCoupling"/>
<owl:disjointWith rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Thermostat"/>
<rdfs:comment>A method for coupling the particles in a molecular dynamics simulation to an external barostat for controlling pressure</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#Bond -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Bond">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#TopologicalEntities"/>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#BondedPotential -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#BondedPotential">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularMechanics"/>
<owl:disjointWith rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#NonBondedPotential"/>
<rdfs:comment>The bonded terms of an interaction potential in simulations</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#CartesianCoordinates -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#CartesianCoordinates">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Coordinates"/>
<owl:disjointWith rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#SphericalCoordinates"/>
<rdfs:comment>The cartesian coordinates of an object in 3D space with respect to a reference system</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#ChemicalProperty -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#ChemicalProperty">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Property"/>
<rdfs:comment>A chemical property of a material</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#ComputationalMethod -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#ComputationalMethod">
<rdfs:comment>A specific computational method for simulating the properties or the behavior of a material or materials</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#Coordinates -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Coordinates">
<rdfs:comment>The spatial coordinates of a structural entity</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#Crystal -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Crystal">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Structure"/>
<rdfs:comment>A material structure with periodicity in space in one, two or three dimensions</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#DFT -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#DFT">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#QuantumMechanics"/>
<rdfs:comment>A computational method for evaluating interaction potentials based on density functional theory</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#Dihedral -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Dihedral">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#TopologicalEntities"/>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#ElectricalMethod -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#ElectricalMethod">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#ExperimentalMethod"/>
<rdfs:comment>An electrical experimental method or procedure</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#ElectroMagneticProperty -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#ElectroMagneticProperty">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Property"/>
<rdfs:comment>An electromagnetic property of a material</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#Experiment -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Experiment">
<rdfs:comment>An experimental operation/procedure or a set of experimental operations/procedures for determining or measuring the properties or the behavior of a material or materials</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#ExperimentalMethod -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#ExperimentalMethod">
<rdfs:comment>A specific experimental method for determining or measuring the properties or the behavior of a material or materials</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#ExternalCoupling -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#ExternalCoupling">
<rdfs:comment>A method used to couple particles in a molecular dynamics simulation to an external reference systems</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#FourBody -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#FourBody">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#PotentialComponents"/>
<rdfs:comment>A 4-body interaction potential term</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#HarteeFock -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#HarteeFock">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#QuantumMechanics"/>
<rdfs:comment>A computational method for evaluating interaction potentials based on the Hartree-Fock theory</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#Integrator -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Integrator">
<rdfs:comment>The integrator of the equation of motions in molecular dynamics simulations</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#InteractionPotential -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#InteractionPotential">
<rdfs:comment>The interaction potential used in a specific computational method</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#LatticeParameters -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#LatticeParameters">
<rdfs:comment>The parameters of a lattice in a periodic structure</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#Material -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Material">
<rdfs:comment>A portion of physical matter</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#MechanicalProperty -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#MechanicalProperty">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Property"/>
<rdfs:comment>A mechanical property of a material</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularAggregate -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularAggregate">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Structure"/>
<rdfs:subClassOf>
<owl:Restriction>
<owl:onProperty rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#has_subunit"/>
<owl:someValuesFrom rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularSystem"/>
</owl:Restriction>
</rdfs:subClassOf>
<owl:disjointWith rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularSystem"/>
<owl:disjointWith rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Particle"/>
<owl:disjointWith rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#StructuralUnit"/>
<rdfs:comment>A material composed of aggregates of molecules of the same kind or of different kind</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularDynamics -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularDynamics">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Algorithm"/>
<rdfs:comment>A computational tool or algorithm for molecular dynamics simulation</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularMechanics -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularMechanics">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#InteractionPotential"/>
<rdfs:comment>A potential based on molecular mechanics</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularSystem -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularSystem">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#StructuralEntity"/>
<owl:disjointWith rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Particle"/>
<owl:disjointWith rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#StructuralUnit"/>
<owl:disjointWith rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Structure"/>
<rdfs:comment>A chemically well-defined system made up of atoms kept together by chemical bonds</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#NPT -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#NPT">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#SimulationEnsembles"/>
<rdfs:comment>The constant-pressure constant-temperature (isothermal-isobaric) simulation ensemble in molecular dynamics</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#NVE -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#NVE">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#SimulationEnsembles"/>
<rdfs:comment>The constant-energy (microcanonical) simulation ensemble in molecular dynamics</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#NVT -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#NVT">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#SimulationEnsembles"/>
<rdfs:comment>The constant-temperature (canonical) simulation ensemble in molecular dynamics</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#NonBondedPotential -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#NonBondedPotential">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#MolecularMechanics"/>
<rdfs:comment>The non bonded terms of an interaction potential in simulations</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#OpticalMethod -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#OpticalMethod">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#ExperimentalMethod"/>
<rdfs:comment>An optical experimental method or procedure</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#Optimizer -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Optimizer">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Algorithm"/>
<rdfs:comment>A computational tool or algorithm for structural optimization</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#Orientation -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Orientation">
<rdfs:comment>The orientation of a system in 3D space with respect to a reference orientation</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#Particle -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Particle">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#StructuralEntity"/>
<owl:disjointWith rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#StructuralUnit"/>
<owl:disjointWith rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Structure"/>
<rdfs:comment>A pseudo-particle used in simulations</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#PotentialComponents -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#PotentialComponents">
<rdfs:comment>The components of an interaction potentials</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#Property -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Property">
<rdfs:subClassOf>
<owl:Restriction>
<owl:onProperty rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#unit"/>
<owl:qualifiedCardinality rdf:datatype="http://www.w3.org/2001/XMLSchema#nonNegativeInteger">1</owl:qualifiedCardinality>
<owl:onDataRange rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
</owl:Restriction>
</rdfs:subClassOf>
<rdfs:subClassOf>
<owl:Restriction>
<owl:onProperty rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#value"/>
<owl:qualifiedCardinality rdf:datatype="http://www.w3.org/2001/XMLSchema#nonNegativeInteger">1</owl:qualifiedCardinality>
<owl:onDataRange rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:Restriction>
</rdfs:subClassOf>
<rdfs:comment>A chemico-physical property of a material or materials</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#QuantumMechanics -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#QuantumMechanics">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#InteractionPotential"/>
<rdfs:comment>A potential based on quantum mechanics</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#Quaternion -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#Quaternion">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Orientation"/>
<owl:disjointWith rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#RotationMatrix"/>
<rdfs:comment>The quaternion coordinate vector of a system in 3D space with respect to a reference orientation</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#RotationMatrix -->
<owl:Class rdf:about="file:/home/fabio/Projects/MAMBO/mambo.owl#RotationMatrix">
<rdfs:subClassOf rdf:resource="file:/home/fabio/Projects/MAMBO/mambo.owl#Orientation"/>
<rdfs:comment>The matrix representing the rotation of a system in 3D space with respect to a reference orientation</rdfs:comment>
</owl:Class>
<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#Simulation -->
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<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#SimulationEnsembles -->
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<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#Structure -->
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<!-- http://purl.obolibrary.org/obo/BFO_0000002 -->
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<!--
///////////////////////////////////////////////////////////////////////////////////////
//
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<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#hydrogen1 -->
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<!-- file:/home/fabio/Projects/MAMBO/mambo.owl#hydrogen1_cartesian_coordinates -->
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