From Fedora Project Wiki
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'''gabedit''' | '''gabedit''' | ||
'''gabedit''' is a | '''gabedit''' is a GUI for a number of computational chemistry packages. Highlights of version 2.1.17 include: | ||
* full undo/redo for geometry changes | * full undo/redo for geometry changes | ||
* full control over displayed bonds | * full control over displayed bonds | ||
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* molecular dynamics conformational searches using MM potential (Amber 99) and Semi-Empirical method (from Open Mopac or PCGamess) | * molecular dynamics conformational searches using MM potential (Amber 99) and Semi-Empirical method (from Open Mopac or PCGamess) | ||
* migration from GDK drawing functions to Cairo | * migration from GDK drawing functions to Cairo | ||
* geometry and plots can be exported to | * geometry and plots can be exported to EPS, PS, PDF, or SVG formats | ||
For complete details see the upstream changelog at: | For complete details see the upstream changelog at: | ||
Revision as of 00:04, 3 April 2009
Fedora 11 includes a range of packages for science and mathematics. The following packages have been updated for Fedora 11.
freefem++
freefem++ is a finite element analysis package which has been updated to 3.0.
Highlights:
- complete change of the graphical interface (freefem++ replaced freefem++-nw)
- added medit (visualization software by P. Frey) inside freefem++ under the name ffmedit
- the IDE version is gone until Antoine Le Hyaric makes a good one see: http://www.ann.jussieu.fr/~lehyaric/ffcs
- introduced client-server architecture freefem++ <-> ffglut
- ffglut visualizer using glut library
Full upstream changelog is here: http://www.freefem.org/ff++/ftp/INNOVATION
gabedit
gabedit is a GUI for a number of computational chemistry packages. Highlights of version 2.1.17 include:
- full undo/redo for geometry changes
- full control over displayed bonds
- support for reading connectivities from gabedit, hin, pdb, mol2 and mol files
- molecular dynamics conformational searches using MM potential (Amber 99) and Semi-Empirical method (from Open Mopac or PCGamess)
- migration from GDK drawing functions to Cairo
- geometry and plots can be exported to EPS, PS, PDF, or SVG formats
For complete details see the upstream changelog at: http://sites.google.com/site/allouchear/Home/gabedit/download/changelog