Difference between revisions of "MSMBuilder"

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m (Zhang moved page MSMBUILDER to MSMBuilder: renaming)
 
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<!--Modules-->
 
<!--Modules-->
==Required Modules==
+
==Environment Modules==
[[Modules|modules documentation]]
+
Run <code>module spider {{#var:app}}</code> to find out what environment modules are available for this application.
===Serial===
 
*{{#var:app}}
 
*python
 
*hdf5
 
 
 
 
==System Variables==
 
==System Variables==
* HPC_{{#uppercase:{{#var:app}}}}_DIR - installation directory
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* HPC_{{uc:{{#var:app}}}}_DIR - installation directory
* HPC_{{#uppercase:{{#var:app}}}}_BIN - executable binary directory
+
* HPC_{{uc:{{#var:app}}}}_BIN - executable binary directory
* HPC_{{#uppercase:{{#var:app}}}}_LIB - library directory
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* HPC_{{uc:{{#var:app}}}}_LIB - library directory
  
 
{{#if: {{#var: conf}}|==Configuration==
 
{{#if: {{#var: conf}}|==Configuration==

Latest revision as of 16:38, 10 June 2022

Description

msmbuilder website  

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.

Environment Modules

Run module spider msmbuilder to find out what environment modules are available for this application.

System Variables

  • HPC_MSMBUILDER_DIR - installation directory
  • HPC_MSMBUILDER_BIN - executable binary directory
  • HPC_MSMBUILDER_LIB - library directory