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molmod

MolMod is a Python library with many compoments that are useful to write molecular modeling programs.

Note

This is an autogenerated page, more detail including examples may be available for this package. Please see the first section of Software on Stanage

After connecting to Stanage (see Establishing a SSH connection), start an interactive session with the following command:

srun --pty bash -i

A version of molmod can then be made available with one of the following:

module load molmod/1.4.5-foss-2020a-Python-3.8.2
module load molmod/1.4.5-intel-2020a-Python-3.8.2

Notes

molmod was installed using Easybuild, build details can be found in $EBROOTMOLMOD/easybuild with a given module loaded.

Direct dependencies for latest version of molmod