recipe scripps-msms

Fast algorithm for computing molecular surfaces

Homepage:

https://ccsb.scripps.edu/msms/

Documentation:

https://ccsb.scripps.edu/msms/documentation/

License:

Free for academic use (research-only license)

Recipe:

/scripps-msms/meta.yaml

Links:

doi: 10.1002/(SICI)1097-0282(199603)38:3<305::AID-BIP4>3.0.CO;2-Y

MSMS is a fast algorithm for computing molecular surfaces. It was developed by Dr. Michel F. Sanner as part of his PhD thesis. It has been widely used for computing and displaying Solvent Excluded Surfaces for proteins. MSMS is used by various molecular visualization programs including VMD, Chimera, and PMV.

package scripps-msms

(downloads) docker_scripps-msms

versions:

2.6.1-0

requirements:

additional platforms:
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 scripps-msms

and update with::

   mamba update scripps-msms

To create a new environment, run:

mamba create --name myenvname scripps-msms

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/scripps-msms:<tag>

(see `scripps-msms/tags`_ for valid values for ``<tag>``)

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Link to this page

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