- 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¶
- depends libcxx:
- depends libgfortran:
- depends libgfortran5:
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
myenvnamebeing 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/cmip:<tag> (see `cmip/tags`_ for valid values for ``<tag>``)