YAMACS: a graphical interface for GROMACS-Reference-Cited by-同舟云学术

YAMACS: a graphical interface for GROMACS

Published:2022-08-23 Issue:19 Volume:38 Page:4645-4646
ISSN:1367-4803
Container-title:Bioinformatics
language:en
Short-container-title:

Author:

Sarkar Arkadeep¹,Santoro Jacopo¹,Di Biasi Luigi²,Marrafino Francesco¹^ORCID,Piotto Stefano¹³^ORCID

Affiliation:

1. Department of Pharmacy, University of Salerno , Fisciano, SA 84084, Italy

2. Department of Computer Science, University of Salerno , Fisciano, SA 84084, Italy

3. Bionam Center for Biomaterials, University of Salerno , Fisciano, SA 84084, Italy

Abstract

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.

Funder

University of Salerno

Publisher

Oxford University Press (OUP)

Subject

Computational Mathematics,Computational Theory and Mathematics,Computer Science Applications,Molecular Biology,Biochemistry,Statistics and Probability

Link

https://academic.oup.com/bioinformatics/advance-article-pdf/doi/10.1093/bioinformatics/btac573/45624021/btac573.pdf

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