recipe pdbx

pdbx is a parser module in python for structures of the protein data bank in the mmcif format

Homepage:

https://github.com/soedinglab/pdbx

Documentation:

https://github.com/soedinglab/pdbx#readme

License:

GPL3 / GPL-3.0-or-later

Recipe:

/pdbx/meta.yaml

Proper recognition to the [Protein Data Bank](http://mmcif.wwpdb.org/docs/sw-examples/python/html/index.html) where this library for protein structures in the mmCIF format initially came from. We modified the original library to support python3. This fork is used by scripts in the HHsuite [on GitHub](https://github.com/soedinglab/hh-suite).

package pdbx

(downloads) docker_pdbx

versions:

1.0.0-1,  1.0.0-0

depends libgcc-ng:

>=12

depends libstdcxx-ng:

>=12

depends python:

>=3.11,<3.12.0a0

depends python_abi:

3.11.* *_cp311

requirements:

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 pdbx

and update with::

   mamba update pdbx

To create a new environment, run:

mamba create --name myenvname pdbx

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/pdbx:<tag>

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

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Link to this page

Render an install-with-bioconda badge with the following MarkDown:

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