Difference between revisions of "MSMBuilder"
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(Created page with "__NOTOC__ __NOEDITSECTION__ Category:SoftwareCategory:Molecular Dynamics {|<!--Main settings - REQUIRED--> |{{#vardefine:app|msmbuilder}} |{{#vardefine:url|https://sim...") |
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===Serial=== | ===Serial=== | ||
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==System Variables== | ==System Variables== | ||
* HPC_{{#uppercase:{{#var:app}}}}_DIR - installation directory | * HPC_{{#uppercase:{{#var:app}}}}_DIR - installation directory | ||
| − | + | * HPC_{{#uppercase:{{#var:app}}}}_BIN - installation directory | |
| − | {{# | + | * HPC_{{#uppercase:{{#var:app}}}}_LIB - installation directory |
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{{#if: {{#var: conf}}|==Configuration== | {{#if: {{#var: conf}}|==Configuration== | ||
See the [[{{PAGENAME}}_Configuration]] page for {{#var: app}} configuration details.|}} | See the [[{{PAGENAME}}_Configuration]] page for {{#var: app}} configuration details.|}} | ||
Revision as of 21:03, 10 September 2012
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
- python
- hdf5
System Variables
- HPC_{{#uppercase:msmbuilder}}_DIR - installation directory
- HPC_{{#uppercase:msmbuilder}}_BIN - installation directory
- HPC_{{#uppercase:msmbuilder}}_LIB - installation directory