YAMACS: a graphical interface for GROMACS.

ABSTRACT

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.