https://github.com/nlesc-nano/match

An unofficial redistribution of the Multipurpose Atom-Typer for CHARMM (MATCH) program
https://github.com/nlesc-nano/match

atom-typing chemistry force-fields molecular-graph parameterization partial-charges perl

Last synced: 11 days ago
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An unofficial redistribution of the Multipurpose Atom-Typer for CHARMM (MATCH) program

• Host: GitHub
• URL: https://github.com/nlesc-nano/match
• Owner: nlesc-nano
• License: gpl-3.0
• Created: 2022-03-14T12:58:07.000Z (almost 3 years ago)
• Default Branch: main
• Last Pushed: 2022-03-14T13:06:25.000Z (almost 3 years ago)
• Last Synced: 2024-11-07T05:44:26.968Z (2 months ago)
• Topics: atom-typing, chemistry, force-fields, molecular-graph, parameterization, partial-charges, perl
• Language: Rich Text Format
• Homepage: https://doi.org/10.1002/jcc.21963
• Size: 1.48 MB
• Stars: 0
• Watchers: 3
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.rst
  • License: LICENSE

Awesome Lists containing this project

README

        
MATCH 0.01

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An unofficial redistribution of the `Multipurpose Atom-Typer for CHARMM (MATCH) `_ program.

See Also

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MATCH: An atom-typing toolset for molecular mechanics force fields, **J.D. Yesselman, D.J. Price, J.L. Knight and C.L. Brooks III**, *J. Comput. Chem., 2011* `Pubmed `_