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Verified Commit 10192f77 authored by Xavier Robin's avatar Xavier Robin
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doc: conda

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......@@ -15,7 +15,7 @@ Please do not hesitate to contact us for feedback or troubleshooting:
## OpenStructure Installation
For a simple and portable setup, we recommend using a containerized
For a simple and portable setup, we recommend using a conda or a containerized
solution. OpenStructure provides its own Docker container registry,
making deployment easier. Deploying a docker image just needs a
docker pull which typically finishes in about a minute depending
......@@ -23,6 +23,15 @@ on your local hardware and internet connection. Singularity
containers bootstrap from the docker container but must be built
by the user.
### Conda
```
conda install bioconda::openstructure
```
Tested with [miniforge](https://conda-forge.org/miniforge/).
### Docker
For complete documentation on using Docker with OpenStructure,
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......@@ -20,10 +20,11 @@ unzip -j example.zip
The example commands here assume an OpenStructure installation
([compile instructions](https://openstructure.org/docs/install/)).
Running the computations in containers provide a considerably easier setup than
compiling OpenStructure from source. Instructions for setup and running
equivalent computations are available below for
Running the computations in conda or containers provide a considerably easier
setup than compiling OpenStructure from source. Instructions for setup and
running equivalent computations are available below for
* [Conda](#conda)
* [Docker](#docker)
* [Singularity](#singularity)
......@@ -87,6 +88,16 @@ You can override automatic extraction by providing SDF files with ligand
coordinates and connectivity information. If the receptor is provided in
PDB format, ligands must be provided in SDF format.
# Conda
Installing OpenStructure in Conda is as easy as:
```
conda install bioconda::openstructure
```
Commands can be run as usual. Tested with [miniforge](https://conda-forge.org/miniforge/).
# Docker
For complete documentation on using Docker with OpenStructure,
......
......@@ -4,8 +4,8 @@ Installing OpenStructure From Source
Brief Overview
--------------------------------------------------------------------------------
For a simple and portable way to use OpenStructure we recommend using a
container solution. We provide recipes to build images for
For a simple and portable way to use OpenStructure we recommend using conda or a
container solution. We provide a conda package and recipes to build images for
`Docker <https://www.docker.com/>`_ and
`Singularity <https://sylabs.io/singularity/>`_.
The latest recipes and instructions can be found on our
......
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