Gromita: A Fully Integrated Graphical user Interface to Gromacs 4

Gromita is a fully integrated and efficient graphical user interface (GUI) to the recently updated molecular dynamics suite Gromacs, version 4. Gromita is a cross-platform, perl/tcl-tk based, interactive front end designed to break the command line barrier and introduce a new user-friendly environme...

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Main Authors: Diamantis Sellis, Dimitrios Vlachakis, Metaxia Vlassi
Format: Article
Language:English
Published: SAGE Publishing 2009-01-01
Series:Bioinformatics and Biology Insights
Online Access:https://doi.org/10.4137/BBI.S3207
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author Diamantis Sellis
Dimitrios Vlachakis
Metaxia Vlassi
author_facet Diamantis Sellis
Dimitrios Vlachakis
Metaxia Vlassi
author_sort Diamantis Sellis
collection DOAJ
description Gromita is a fully integrated and efficient graphical user interface (GUI) to the recently updated molecular dynamics suite Gromacs, version 4. Gromita is a cross-platform, perl/tcl-tk based, interactive front end designed to break the command line barrier and introduce a new user-friendly environment to run molecular dynamics simulations through Gromacs. Our GUI features a novel workflow interface that guides the user through each logical step of the molecular dynamics setup process, making it accessible to both advanced and novice users. This tool provides a seamless interface to the Gromacs package, while providing enhanced functionality by speeding up and simplifying the task of setting up molecular dynamics simulations of biological systems. Gromita can be freely downloaded from http://bio.demokritos.gr/gromita/ .
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spelling doaj.art-c1080d9b59f243198dd256ed7618e0df2022-12-21T20:15:24ZengSAGE PublishingBioinformatics and Biology Insights1177-93222009-01-01310.4137/BBI.S3207Gromita: A Fully Integrated Graphical user Interface to Gromacs 4Diamantis Sellis0Dimitrios Vlachakis1Metaxia Vlassi2Institute of Biology, National Centre for Scientific Research “Demokritos”, 15310 Ag. Paraskevi Attikis, Greece.Institute of Biology, National Centre for Scientific Research “Demokritos”, 15310 Ag. Paraskevi Attikis, Greece.Institute of Biology, National Centre for Scientific Research “Demokritos”, 15310 Ag. Paraskevi Attikis, Greece.Gromita is a fully integrated and efficient graphical user interface (GUI) to the recently updated molecular dynamics suite Gromacs, version 4. Gromita is a cross-platform, perl/tcl-tk based, interactive front end designed to break the command line barrier and introduce a new user-friendly environment to run molecular dynamics simulations through Gromacs. Our GUI features a novel workflow interface that guides the user through each logical step of the molecular dynamics setup process, making it accessible to both advanced and novice users. This tool provides a seamless interface to the Gromacs package, while providing enhanced functionality by speeding up and simplifying the task of setting up molecular dynamics simulations of biological systems. Gromita can be freely downloaded from http://bio.demokritos.gr/gromita/ .https://doi.org/10.4137/BBI.S3207
spellingShingle Diamantis Sellis
Dimitrios Vlachakis
Metaxia Vlassi
Gromita: A Fully Integrated Graphical user Interface to Gromacs 4
Bioinformatics and Biology Insights
title Gromita: A Fully Integrated Graphical user Interface to Gromacs 4
title_full Gromita: A Fully Integrated Graphical user Interface to Gromacs 4
title_fullStr Gromita: A Fully Integrated Graphical user Interface to Gromacs 4
title_full_unstemmed Gromita: A Fully Integrated Graphical user Interface to Gromacs 4
title_short Gromita: A Fully Integrated Graphical user Interface to Gromacs 4
title_sort gromita a fully integrated graphical user interface to gromacs 4
url https://doi.org/10.4137/BBI.S3207
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