{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "\n", "*This notebook contains material from [PyRosetta](https://RosettaCommons.github.io/PyRosetta.notebooks);\n", "content is available [on Github](https://github.com/RosettaCommons/PyRosetta.notebooks.git).*" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "\n", "< [PyRosettaCluster Tutorial 2. Multiple protocols](http://nbviewer.jupyter.org/github/RosettaCommons/PyRosetta.notebooks/blob/master/notebooks/16.08-PyRosettaCluster-Multiple-protocols.ipynb) | [Contents](toc.ipynb) | [Index](index.ipynb) | [PyRosettaCluster Tutorial 4. Ligand params](http://nbviewer.jupyter.org/github/RosettaCommons/PyRosetta.notebooks/blob/master/notebooks/16.10-PyRosettaCluster-Ligand-params.ipynb) >
"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# PyRosettaCluster Tutorial 3. Multiple decoys\n",
"\n",
"PyRosettaCluster Tutorial 3 demonstrates how multiple tasks (specified by `kwargs`) may be run several times (specified by `nstruct`). Additionally, user-provided PyRosetta protocols may `yield` or `return` multiple `Pose` or `PackedPose` objects to be efficiently parallelized on the user's compute resources."
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"*Warning*: This notebook uses `pyrosetta.distributed.viewer` code, which runs in `jupyter notebook` and might not run if you're using `jupyterlab`."
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"*Note:* This Jupyter notebook uses parallelization and is **not** meant to be executed within a Google Colab environment."
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"*Note:* This Jupyter notebook requires the PyRosetta distributed layer which is obtained by building PyRosetta with the `--serialization` flag or installing PyRosetta from the RosettaCommons conda channel \n",
"\n",
"**Please see Chapter 16.00 for setup instructions**"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"*Note:* This Jupyter notebook is intended to be run within **Jupyter Lab**, but may still be run as a standalone Jupyter notebook."
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"### 1. Import packages"
]
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