recipe ccp4srs

CCP4 Storage, Retrieval and Search framework for small-molecule data

Homepage:

https://www.ccp4.ac.uk

Documentation:

https://ccp4forge.rc-harwell.ac.uk/ccp4/ccp4srs/-/tree/935b2d99b73f5f8b2396a5f2b6cdc617610131b5/doc-html/html

Developer docs:

https://ccp4forge.rc-harwell.ac.uk/ccp4/ccp4srs

License:

GPL3 / LGPL-3.0

Recipe:

/ccp4srs/meta.yaml

Links:

doi: 10.1107/S0907444994003112

CCP4SRS is a vital part of the CCP4 suite designed for handling and generating Crystallographic Information File (CIF) library files. It provides a robust framework for storing, retrieving, and searching small-molecule crystallographic data.

package ccp4srs

(downloads) docker_ccp4srs

versions:

2024.06.14-0

depends libccp4:

>=8.0.0,<9.0a0

depends libgcc:

>=13

depends libstdcxx:

>=13

depends libzlib:

>=1.3.1,<2.0a0

depends mmdb2:

>=2.0.22,<3.0a0

requirements:

additional platforms:
linux-aarch64,  osx-arm64

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 ccp4srs

and update with::

   mamba update ccp4srs

To create a new environment, run:

mamba create --name myenvname ccp4srs

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/ccp4srs:<tag>

(see `ccp4srs/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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