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Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs
Published on: August 9, 2024
YAMACS: a graphical interface for GROMACS
Arkadeep Sarkar1, Jacopo Santoro1, Luigi Di Biasi2
1Department of Pharmacy, University of Salerno, Fisciano, SA 84084, Italy.
Summary:
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.
Availability And Implementation:
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 Information:
Supplementary data are available at Bioinformatics online.
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