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GROMACS is a molecular dynamics package mainly designed for simulations of proteins, lipids, and nucleic acids. It was originally developed in the Biophysical Chemistry department of University of Groningen, and is now maintained by contributors in universities and research centers worldwide. GROMACS is one of the fastest and most popular software packages available, and can run on central processing units (CPUs) and graphics processing units (GPUs). It is free, open-source software released under the GNU General Public License (GPL), and starting with version 4.6, the GNU Lesser General Public License (LGPL).

Attributes	Values
rdf:type	Thing software schema:CreativeWork work wikidata:Q386724 Software yago:Abstraction100002137 yago:Code106355894 yago:CodingSystem106353757 yago:Communication100033020 yago:Writing106359877 yago:WrittenCommunication106349220 yago:Software106566077 umbel-rc:SoftwareObject
rdfs:label	GROMACS (de) GROMACS (en) GROMACS (es) GROMACS (fr) Gromacs (it) GROMACS (ja) GROMACS (pt) GROMACS (ru) GROMACS (zh)
rdfs:comment	GROMACS (Groningen Machine for Chemical Simulations) ist ein Softwarepaket für Simulationen und Auswertungen molekulardynamischer Prozesse (MD), das ursprünglich an der Universität Groningen entwickelt wurde. Heute findet die Unterstützung und Weiterentwicklung an verschiedenen Orten und Einrichtungen statt, darunter die Universität Uppsala, Universität Stockholm und das Max-Planck-Institut für Polymerforschung. (de) GROMACS is a molecular dynamics package mainly designed for simulations of proteins, lipids, and nucleic acids. It was originally developed in the Biophysical Chemistry department of University of Groningen, and is now maintained by contributors in universities and research centers worldwide. GROMACS is one of the fastest and most popular software packages available, and can run on central processing units (CPUs) and graphics processing units (GPUs). It is free, open-source software released under the GNU General Public License (GPL), and starting with version 4.6, the GNU Lesser General Public License (LGPL). (en) GROMACS (GROningen MAchine for Chemical Simulations) es un programa de alto rendimiento, de código abierto, multiplataforma utilizado para realizar la simulación de la dinámica molecular de sistemas con cientos de millones de partículas.Gromacs fue originalmente desarrollado en la Universidad de Groningen, pero por ser de código abierto ha sido reimplementado por muchos otros desarrolladores. (es) GROMACS（グローマックス、Groningen Machine for Chemical Simulations、グローニンゲン・マシン・フォー・ケミカル・シミュレーションズ）は、フローニンゲン大学で開発された分子動力学シミュレーションのソフトウェアパッケージである。現在は世界中の開発者により維持管理されている。分子動力学シミュレーション分野の中で高速かつ利用者の多いソフトウェアパッケージの一つであり、CPUおよびGPU上で動作する。フリー、オープンソースソフトウェアであり、GNU General Public License、GNU Lesser General Public License（バージョン4.6から）の下で公開されている。 (ja) GROMACS (GROningen MAchine for Chemical Simulations) est un logiciel de simulation en dynamique moléculaire développé initialement par l'université de Groningue, et à présent maintenu et étendu par différentes organisations, notamment l'université d'Uppsala, l'université de Stockholm et l'Institut Max-Planck de recherche sur les polymères. Il est utilisé notamment par le projet Folding@home. (fr) GROMACS (GROningen MAchine for Chemical Simulations) è un software libero per la bioinformatica, specializzato nelle simulazioni dinamiche di proteine, lipidi e acidi nucleici. Sviluppato inizialmente dall'Università di Groninga, il progetto è supportato da altre università e anche dalla comunità europea attraverso il programma Horizon 2020. (it) GROMACS (GROningen MAchine for Chemical Simulations) é um pacote de dinâmica molecular projetado principalmente para simulações de proteínas, lipídios e ácidos nucleicos. Foi desenvolvido originalmente no departamento de Química Biofísica da Universidade de Groningen e agora é mantido por contribuintes em universidades e centros de pesquisa em todo o mundo. GROMACS é um dos pacotes mais rápidos e mais populares de software disponíveis, e pode ser executado em CPUs, bem como em GPUs. Ele é livre, de código aberto lançado sob a licença GNU General Public License. A partir da versão 4.6, GROMACS é liberado sob a licença GNU Lesser General Public License. (pt) GROMACS（全称：GROningen MAchine for Chemical Simulations，格罗宁根化学模拟体系）是一套分子动力学模拟程序包，主要用来模拟研究蛋白质、脂质、核酸等生物分子的性质。它起初由荷兰格罗宁根大学生物化学系开发，目前由来自世界各地的大学和研究机构维护。GROMACS是开源免费的软件，4.6版之前的版本使用GNU通用公共许可证(GPL)发行，而4.6版之后使用GNU宽通用公共许可证(LGPL)发行。 (zh) GROMACS (англ. groningen machine for chemical simulations, гронингенская машина для химического моделирования) пакет программ для моделирования физико-химических процессов в молекулярной динамике. Разработан командой Германа Берендсена, работающей в отделении биофизической химии университета Гронингена. В настоящее время развивается и поддерживается усилиями энтузиастов, в число которых входят представители университета Уппсалы и королевского технологического института. Пакет предназначен для моделирования биомолекул (например, молекул белков и липидов), имеющих много связанных взаимодействий между атомами. Обеспечивает высокую скорость расчётов для несвязанных взаимодействий. Считается одним из самых быстрых инструментов. Является свободным программным обеспечением с открытым исходным код (ru)
foaf:name	GROMACS (en)
foaf:homepage	https://www.gromacs.org/
name	GROMACS (en)
dcterms:subject	Free software programmed in C Molecular dynamics software
Wikipage page ID	306766 (xsd:integer)
Wikipage revision ID	1113971986 (xsd:integer)
Link from a Wikipage to another Wikipage	Rosetta@home Biochemistry University of Groningen Unix Uppsala University VOTCA OPLS Nucleic acid Command-line interface Comparison of force field implementations SYCL Estimated time of arrival GNU General Public License GNU Lesser General Public License GROMOS Grace (plotting tool) NAMD Bennett acceptance ratio Linux MacOS Comparison of software for molecular mechanics modeling Protein Data Bank Free software programmed in C C++ CHARMM CUDA C (programming language) Distributed computing Lipid Abalone (molecular mechanics) Folding@home Force field (chemistry) Fortran 77 Central processing unit Graphics processing unit Molecular dynamics Protein folding Protein Artificial life Molecular dynamics software LAMMPS Sweden Microsoft Windows Netherlands Open-source software OpenCL OpenMM Message Passing Interface Royal Institute of Technology Solvent VisIt Yasara Molecular design software Folding@home cores Thread (computer science)
Link from a Wikipage to an external page	http://timn.ho.ua/ccs http://www.bwhpc-c5.de/wiki/index.php/Gromacs https://gromacs.bioexcel.eu/ https://www.gromacs.org/ http://www.nvidia.com/object/gromacs_on_tesla.html
sameAs	GROMACS

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