recipe reduce

Reduce - tool for adding and correcting hydrogens in PDB files

Homepage:

https://github.com/rlabduke/reduce

Documentation:

https://github.com/rlabduke/reduce#readme

License:

BSD / BSD-4-Clause-UC

Recipe:

/reduce/meta.yaml

Reduce is a tool for adding and correcting hydrogens in PDB files. It is often used in computational biology and molecular modeling to prepare protein structures for further analysis or simulations.

package reduce

versions:

4.14-2,  4.14-1,  4.14-0

depends libgcc-ng:

>=12

depends libstdcxx-ng:

>=12

depends python:

>=3.10,<3.11.0a0

depends python_abi:

3.10.* *_cp310

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 reduce

and update with::

   mamba update reduce

To create a new environment, run:

mamba create --name myenvname reduce

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/reduce:<tag>

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

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