Category Sciences/Chemistry

gromacs Apr 17, 2011, 06:50 PMApr 17, 2011, 06:50 PM
Version: 4.0.7-alt5
Summary: Molecular dynamics package
Changelog:
- Built with GotoBLAS2 instead of ATLAS
avogadro Mar 24, 2011, 04:20 PMMar 24, 2011, 04:20 PM
Version: 1.0.1-alt3
Summary: An advanced molecular editor for chemical purposes
Changelog:
- rebuilt with new boost
openbabel Mar 20, 2011, 10:31 PMMar 20, 2011, 10:31 PM
Version: 2.2.3-alt3
Summary: Chemistry software file format converter
Changelog:
- re-added lost BR, thx at@
gromacs-gui Mar 18, 2011, 07:41 PMMar 18, 2011, 07:41 PM
Version: 0.5.2-alt5
Summary: GUI for molecular dynamics package, GROMACS
Changelog:
- Rebuilt for debuginfo
xcrysden Dec 19, 2010, 02:01 PMDec 19, 2010, 02:01 PM
Version: 1.5.21-alt3
Summary: X-window CRYstalline Structure and DENsities
Changelog:
- BR += libGLU-devel
platon Oct 14, 2010, 03:33 AMOct 14, 2010, 03:33 AM
Version: 20101011-alt2
Summary: PLATON is a versatile SHELX97 compatible multipurpose crystallographic tool
Changelog:
- really merged Denis' spec, shame on me (closes: #23830)
abinit Jun 2, 2010, 01:24 AMJun 2, 2010, 01:24 AM
Version: 6.0.4-alt1
Summary: Computational Chemistry DFT program
Changelog:
- 6.0.4
gnome-chemistry-utils Mar 20, 2010, 02:03 AMMar 20, 2010, 02:03 AM
Version: 0.10.12-alt2
Summary: A set of chemical utilities
Changelog:
- build mozilla-plugin subpackage
bodr Mar 15, 2010, 02:05 PMMar 15, 2010, 02:05 PM
Version: 8-alt1
Summary: Blue Obelisk Data Repository
Changelog:
- first build for Sisyphus
pymol Jan 2, 2010, 01:24 AMJan 2, 2010, 01:24 AM
Version: 1.2_b3-alt2.svn20090726.3
Summary: Python-enhanced molecular graphics tool
Changelog:
- Rebuilt without python-module-Numeric
drawxtl Dec 13, 2009, 11:33 PMDec 13, 2009, 11:33 PM
Version: 5.4-alt1
Summary: Displays crystal structures
Changelog:
- built for ALT Linux
  + based on debroglie spec and debian patches/resources
- heavy spec cleanup
chemtool Dec 13, 2009, 06:32 PMDec 13, 2009, 06:32 PM
Version: 1.6.12-alt1
Summary: A program for 2D drawing organic molecules
Changelog:
- 1.6.12
- built with libEMF
- description cleanup
- repocop cleanup
xdrawchem Dec 2, 2009, 12:32 AMDec 2, 2009, 12:32 AM
Version: 1.9.9-alt3.qa1
Summary: XDrawChem is a two-dimensional molecule drawing program
Changelog:
- NMU (by repocop): the following fixes applied:
  * pixmap-in-deprecated-location for xdrawchem
  * update_menus for xdrawchem
  * postclean-05-filetriggers for spec file
RasMol Jun 6, 2009, 06:38 PMJun 6, 2009, 06:38 PM
Version: 2.7.3.1-alt6
Summary: Molecular Graphics Visualisation Tool
Changelog:
- adapted freedesktop menu file from Mandriva
- applied repocop patch
gperiodic Dec 4, 2008, 07:42 PMDec 4, 2008, 07:42 PM
Version: 2.0.10-alt4
Summary: Program for browsing the periodic table
Changelog:
- applied repocop patch
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