YAMACS: a graphical interface for GROMACS

A graphical user interface for the GROMACS program has been developed as plugins for YASARA molecular graphics suite. The most significant GROMACS methods can be run entirely via a windowed menu system, and the results are shown on screen in real time. YAMACS is written in Python and is freely avail...

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Veröffentlicht in:Bioinformatics (Oxford, England) England), 2022-09, Vol.38 (19), p.4645-4646
Hauptverfasser: Sarkar, Arkadeep, Santoro, Jacopo, Di Biasi, Luigi, Marrafino, Francesco, Piotto, Stefano
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Sprache:eng
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Zusammenfassung:A graphical user interface for the GROMACS program has been developed as plugins for YASARA molecular graphics suite. The most significant GROMACS methods can be run entirely via a windowed menu system, and the results are shown on screen in real time. YAMACS is written in Python and is freely available for download at https://github.com/YAMACS-SML/YAMACS and is supported on Linux. It has been released under GPL-3.0 license. Supplementary data are available at Bioinformatics online.
ISSN:1367-4803
1367-4811
DOI:10.1093/bioinformatics/btac573