recipe flexserv

FlexServ protein structure conformational ensemble generation tools

Homepage:

http://mmb.irbbarcelona.org/gitlab/adam/FlexServ

License:

APACHE / Apache Software License

Recipe:

/flexserv/meta.yaml

Tools for the generation of protein structure conformational ensembles taken from the FlexServ MMB Web Server (https://mmb.irbbarcelona.org/FlexServ/): Discrete Molecular Dynamics (DMD), Brownian Dynamics (BD) and Normal Mode Analysis (NMA).

package flexserv

(downloads) docker_flexserv

versions:

1.0.2-2,  1.0.2-1,  1.0.2-0,  1.0.1-0,  1.0.0-1,  1.0.0-0

depends libgcc-ng:

>=12

depends libgfortran-ng:

depends libgfortran5:

>=12.2.0

depends libstdcxx-ng:

>=12

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 flexserv

and update with::

   mamba update flexserv

To create a new environment, run:

mamba create --name myenvname flexserv

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/flexserv:<tag>

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

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Link to this page

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

[![install with bioconda](https://img.shields.io/badge/install%20with-bioconda-brightgreen.svg?style=flat)](http://bioconda.github.io/recipes/flexserv/README.html)