recipe enzymm

Detect catalytic enzyme residues in protein structures by matching a library of known templates.

Homepage:

https://pypi.org/project/enzymm/

Documentation:

https://enzymm.readthedocs.io/en/latest

Developer docs:

https://github.com/RayHackett/enzymm

License:

MIT

Recipe:

/enzymm/meta.yaml

Enzyme Motif Miner is a fast and scalable python tool to identify catalytic sites in protein structures. It comes with a library of known arrangements of (partial) catalytic sites called templates derived from the Mechanism and Catalytic Site Atlas. Results are fully knowledge based and traceable.

package enzymm

versions:

0.3.1-0

depends pyjess:

>=0.9.0,<0.10.dev0

depends python:

3.9.*

depends readerwriterlock:

>=1.0.9,<1.1.dev0

depends rich:

>=10.0.0

requirements:

additional platforms:

Installation

You need a conda-compatible package manager (currently either micromamba, mamba, or conda) and the Bioconda channel already activated (see set-up-channels).

While any of above package managers is fine, it is currently recommended to use either micromamba or mamba (see here for installation instructions). We will show all commands using mamba below, but the arguments are the same for the two others.

Given that you already have a conda environment in which you want to have this package, install with:

   mamba install enzymm

and update with::

   mamba update enzymm

To create a new environment, run:

mamba create --name myenvname enzymm

with myenvname being a reasonable name for the environment (see e.g. the mamba docs for details and further options).

Alternatively, use the docker container:

   docker pull quay.io/biocontainers/enzymm:<tag>

(see `enzymm/tags`_ for valid values for ``<tag>``)

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