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.
- HPC_MSMBUILDER_DIR - installation directory
- HPC_MSMBUILDER_BIN - executable binary directory
- HPC_MSMBUILDER_LIB - library directory
- Validated 4/5/2018