recipe ligand-validation

Extract ligand and binding site information from PDB X-ray validation reports

Homepage:

https://git.scicore.unibas.ch/schwede/ligand-validation

Documentation:

https://git.scicore.unibas.ch/schwede/ligand-validation/-/blob/master/README.md

License:

Apache-2.0

Recipe:

/ligand-validation/meta.yaml

This project contains script for the validation of the quality of a PDB entry, ligand and binding site based on the PDB Validation pipeline.

package ligand-validation

versions:

0.0.1-0

depends lxml:

depends mmcif:

depends openstructure:

depends pandas:

depends python:

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 ligand-validation

and update with::

   mamba update ligand-validation

To create a new environment, run:

mamba create --name myenvname ligand-validation

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/ligand-validation:<tag>

(see `ligand-validation/tags`_ for valid values for ``<tag>``)

Download stats

Link to this page

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