recipe godmd

GOdMD Conformational Transitions with discrete Molecular Dynamics

Homepage:

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

License:

APACHE / Apache Software License

Recipe:

/godmd/meta.yaml

GOdMD is a new method for determining pathways for conformational transitions in macromolecules based on the use of discrete molecular dynamics and biasing techniques based on a combination of essential dynamics and Maxwell-Demon sampling techniques. The method can work with high efficiency at different levels of resolution, including the atomistic one, and can help to define initial pathways for further exploration by means of more accurate atomistic molecular dynamics simulations.

package godmd

Versions:

1.0.0-4,  1.0.0-3,  1.0.0-2,  1.0.0-0

Depends:

• libgcc-ng >=10.3.0

• libgfortran-ng

• libgfortran5 >=10.3.0

• libstdcxx-ng >=10.3.0

• python_abi 3.9.* *_cp39

Required By:

• biobb_godmd

Installation

With an activated Bioconda channel (see set-up-channels), install with:

conda install godmd

and update with:

conda update godmd

or use the docker container:

docker pull quay.io/biocontainers/godmd:<tag>

(see godmd/tags for valid values for <tag>)

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Link to this page

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