MSMBuilder
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Description
MSMBuilder is an open source software package for automating the construction and analysis of Markov state models (MSMs). It is primarily written in the python programming language with C extensions for the most time consuming routines. MSMs are a powerful means of modeling the structure and dynamics of molecular systems, like proteins.
Required Modules
Serial
- msmbuilder
System Variables
- HPC_{{#uppercase:msmbuilder}}_DIR - installation directory
Additional Information
To run the graphical interface of molden, please connect to an interactive node.