Difference between revisions of "Ghemical"

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(Created page with "{{Entry |Name=Ghemical |Short description=Molecular modelling application |Full description=Ghemical is a molecular modelling software package with a GUI (one for the GLUT librar...")
 
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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
|Status=Live
 
 
|Component programs=MOPAC7 (public domain),MPQC (GNU GPL)
 
|Component programs=MOPAC7 (public domain),MPQC (GNU GPL)
|Homepage URL=http://www.uku.fi/~thassine/ghemical/
 
|VCS checkout command=
 
 
|Computer languages=C++
 
|Computer languages=C++
|Documentation note=
 
|Paid support=
 
|IRC help=
 
|IRC general=
 
|IRC development=
 
 
|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
|Is GNU=n
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|Version identifier=3.0.0
|Last review by=Janet Casey
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|Version date=2011/10/12
|Last review date=2005-11-21
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|Version status=stable
 +
|Version download=http://www.bioinformatics.org/ghemical/download/current/ghemical-3.0.0.tar.gz
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|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
|Version identifier=1.91dev
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|Status=
|Version date=2005-11-12
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|Is GNU=No
|Version status=stable
+
|License verified date=2002-02-22
|Version download=http://www.uku.fi/~thassine/ghemical/download/ghemical-1.91.tgz
+
}}
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{{Project license
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|License=GPLv2
 +
|License verified by=Janet Casey
 
|License verified date=2002-02-22
 
|License verified date=2002-02-22
|Version comment=1.91dev released 2005-11-12
 
 
}}
 
}}
 
{{Person
 
{{Person
 +
|Real name=Tommi Hassinen
 
|Role=Maintainer
 
|Role=Maintainer
|Real name=Tommi Hassinen
 
 
|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
}}
 
{{Project license
 
|License=GPLv2
 
|License verified by=Janet Casey
 
|License verified date=2002-02-22
 
 
}}
 
}}
 
{{Software prerequisite
 
{{Software prerequisite
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|Prerequisite description=GNOME
 
|Prerequisite description=GNOME
 
}}
 
}}
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{{Featured}}

Revision as of 10:31, 17 March 2017

[edit]

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.

Related Projects





Licensing

License

Verified by

Verified on

Notes

Verified by

Janet Casey

Verified on

22 February 2002




Leaders and contributors

Contact(s)Role
Tommi Hassinen Maintainer


Resources and communication

AudienceResource typeURI
Bug TrackingVCS Repository Webviewhttp://bioinformatics.org/bugs/?group_id=41
DeveloperVCS Repository Webviewhttp://bioinformatics.org/cgi-bin/cvsweb.cgi/ghemical/
DeveloperE-mailmailto:ghemical-devel@bioinformatics.org
Debian (Ref)https://tracker.debian.org/pkg/ghemical


Software prerequisites

KindDescription
Required to useGNOME

This entry (in part or in whole) was last reviewed on 14 February 2018.



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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.