Avogadro libraries for computational chemistry
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
http://openchemistry.org/avogadro2
- Devel package for openSUSE:Factory
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2
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osc -A https://api.opensuse.org checkout science/avogadrolibs && cd $_
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Source Files
Filename | Size | Changed |
---|---|---|
Fix_qtplugins_surfaces_linking.patch | 0000000789 789 Bytes | |
avogadrolibs-1.97.0.tar.gz | 0011456702 10.9 MB | |
avogadrolibs.changes | 0000006428 6.28 KB | |
avogadrolibs.spec | 0000006659 6.5 KB | |
crystals-4b39c77ec1043cfb7a73e7b5dd51e24d36a95c44. |
0000157477 154 KB | |
molecules-b1e16c5dc6d15e72d30dd6c4fca31b2c12025efc |
0000207244 202 KB | |
not-install-gwavi.patch | 0000000950 950 Bytes |
Revision 13 (latest revision is 16)
Atri Bhattacharya (badshah400)
accepted
request 1003700
from
Stefan Brüns (StefanBruens)
(revision 13)
- Update to 1.97.0 https://github.com/OpenChemistry/avogadrolibs/releases/tag/1.97.0 Highlights: * Adds molecular surfaces, solvent-accessible, and solvent-excluded surfaces * Adds support for a range of partial charge models, including coloring electrostatic potentials on surfaces. * This includes writing Python scripts to assign atomic charges or electrostatic potential * Adds improved hydrogen-bond, chalcogen, and halogen bond rendering. * Add improved close-contact and salt-bridge rendering * Significantly improves interface translation, properly loading translation files, and including a dialog to choose your preferred user interface language - Add Fix_qtplugins_surfaces_linking.patch
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