Difference between revisions of "Ghemical"
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|Short description=Molecular modelling application | |Short description=Molecular modelling application | ||
|Full description=Ghemical is a molecular modelling software package with a GUI (one for the GLUT library, and another for GNOME), and some nice 3D-visualization tools. It supports methods based on both molecular mechanics and quantum mechanics (using MOPAC7, and MPQC for QM). The geometry optimization (for MM and QM) and molecular dynamics (for MM) algorithms are included. | |Full description=Ghemical is a molecular modelling software package with a GUI (one for the GLUT library, and another for GNOME), and some nice 3D-visualization tools. It supports methods based on both molecular mechanics and quantum mechanics (using MOPAC7, and MPQC for QM). The geometry optimization (for MM and QM) and molecular dynamics (for MM) algorithms are included. | ||
| + | |Homepage URL=http://www.bioinformatics.org/ghemical/ghemical/index.html | ||
|User level=none | |User level=none | ||
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|Component programs=MOPAC7 (public domain),MPQC (GNU GPL) | |Component programs=MOPAC7 (public domain),MPQC (GNU GPL) | ||
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|Computer languages=C++ | |Computer languages=C++ | ||
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|Related projects=GAMGI,GROMACS,gdpc,chemtool,XDrawChem,Bioinformatics_Template_Library,Jmol,E-CELL_Simulation_Environment | |Related projects=GAMGI,GROMACS,gdpc,chemtool,XDrawChem,Bioinformatics_Template_Library,Jmol,E-CELL_Simulation_Environment | ||
|Keywords=Gnome,science,chemistry,ghemical,molecular modelling | |Keywords=Gnome,science,chemistry,ghemical,molecular modelling | ||
| − | | | + | |Version identifier=3.0.0 |
| − | |Last review by= | + | |Version date=2011/10/12 |
| − | |Last review date= | + | |Version status=stable |
| + | |Version download=http://www.bioinformatics.org/ghemical/download/current/ghemical-3.0.0.tar.gz | ||
| + | |Last review by=Alejandroindependiente | ||
| + | |Last review date=2017/03/17 | ||
|Submitted by=Database conversion | |Submitted by=Database conversion | ||
|Submitted date=2011-04-01 | |Submitted date=2011-04-01 | ||
| − | | | + | |Status= |
| − | | | + | |Is GNU=No |
| − | | | + | |License verified date=2002-02-22 |
| − | | | + | }} |
| + | {{Project license | ||
| + | |License=GPLv2 | ||
| + | |License verified by=Janet Casey | ||
|License verified date=2002-02-22 | |License verified date=2002-02-22 | ||
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}} | }} | ||
{{Person | {{Person | ||
| + | |Real name=Tommi Hassinen | ||
|Role=Maintainer | |Role=Maintainer | ||
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|Email=thassine@messi.uku.fi | |Email=thassine@messi.uku.fi | ||
|Resource URL= | |Resource URL= | ||
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|Science=chemistry | |Science=chemistry | ||
|Use=science | |Use=science | ||
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}} | }} | ||
{{Software prerequisite | {{Software prerequisite | ||
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|Prerequisite description=GNOME | |Prerequisite description=GNOME | ||
}} | }} | ||
| + | {{Featured}} | ||
Revision as of 10:31, 17 March 2017
Ghemical
http://www.bioinformatics.org/ghemical/ghemical/index.html
Molecular modelling application
Ghemical is a molecular modelling software package with a GUI (one for the GLUT library, and another for GNOME), and some nice 3D-visualization tools. It supports methods based on both molecular mechanics and quantum mechanics (using MOPAC7, and MPQC for QM). The geometry optimization (for MM and QM) and molecular dynamics (for MM) algorithms are included.
Licensing
License
Verified by
Verified on
Notes
Leaders and contributors
| Contact(s) | Role |
|---|---|
| Tommi Hassinen | Maintainer |
Resources and communication
| Audience | Resource type | URI |
|---|---|---|
| Developer | VCS Repository Webview | http://bioinformatics.org/cgi-bin/cvsweb.cgi/ghemical/ |
| Bug Tracking | VCS Repository Webview | http://bioinformatics.org/bugs/?group_id=41 |
| Developer | mailto:ghemical-devel@bioinformatics.org | |
| Debian (Ref) | https://tracker.debian.org/pkg/ghemical |
Software prerequisites
| Kind | Description |
|---|---|
| Required to use | GNOME |
Permission is granted to copy, distribute and/or modify this document under the terms of the GNU Free Documentation License, Version 1.3 or any later version published by the Free Software Foundation; with no Invariant Sections, no Front-Cover Texts, and no Back-Cover Texts. A copy of the license is included in the page “GNU Free Documentation License”.
The copyright and license notices on this page only apply to the text on this page. Any software or copyright-licenses or other similar notices described in this text has its own copyright notice and license, which can usually be found in the distribution or license text itself.