recipe cmip

CMIP Classical Molecular Interaction Potentials



APACHE / Apache Software License



The latest version of the classical molecular interaction potential (CMIP) has the ability to predict the position of crystallographic waters in several proteins with great accuracy.

package cmip

(downloads) docker_cmip



depends libcxx:


depends libgfortran:


depends libgfortran5:




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 cmip

and update with::

   mamba update cmip

To create a new environment, run:

mamba create --name myenvname cmip

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<tag>

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

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