Category Sciences/Chemistry

gnome-chemistry-utils Nov 8, 2016, 02:38 PMNov 8, 2016, 02:38 PM
Version: 0.14.15-alt0.M80P.1
Summary: A set of chemical utilities
Changelog:
- backport to p8
shelxle Apr 10, 2016, 12:41 PMApr 10, 2016, 12:41 PM
Version: 1.0.764-alt1
Summary: A Qt GUI for SHELX
Changelog:
- new version
platon Apr 8, 2016, 07:12 PMApr 8, 2016, 07:12 PM
Version: 20160403-alt1
Summary: PLATON is a versatile SHELX compatible multipurpose crystallographic tool
Changelog:
- new version
pymol Apr 7, 2016, 02:06 AMApr 7, 2016, 02:06 AM
Version: 1.7.2.1-alt2.svn20140819.qa1
Summary: Python-enhanced molecular graphics tool
Changelog:
- NMU: rebuilt with libGLEW.so.1.13.
avogadro Feb 2, 2016, 01:27 PMFeb 2, 2016, 01:27 PM
Version: 1.1.1-alt3
Summary: An advanced molecular editor for chemical purposes
Changelog:
- fix to build on arm
xdrawchem Feb 1, 2016, 06:22 PMFeb 1, 2016, 06:22 PM
Version: 1.9.9-alt3.qa3.1
Summary: XDrawChem is a two-dimensional molecule drawing program
Changelog:
- NMU: rebuild with new openbabel
openbabel Feb 1, 2016, 05:09 PMFeb 1, 2016, 05:09 PM
Version: 2.3.2-alt2
Summary: Chemistry software file format converter
Changelog:
- fix to build with gcc5
gperiodic Nov 13, 2015, 01:12 PMNov 13, 2015, 01:12 PM
Version: 3.0.1-alt1
Summary: Program for browsing the periodic table
Changelog:
- new version (watch file uupdate)
chemtool Jun 18, 2014, 09:34 PMJun 18, 2014, 09:34 PM
Version: 1.6.14-alt1
Summary: A program for 2D drawing organic molecules
Changelog:
- new version (watch file uupdate)
xmolwt Feb 26, 2014, 05:22 PMFeb 26, 2014, 05:22 PM
Version: 0.7-alt1
Summary: Molecular Weight & Elemental Analysis Calculator
Changelog:
- rebuilt for Sisyphus, thanks ogion@
eperiodique Jan 29, 2014, 06:24 PMJan 29, 2014, 06:24 PM
Version: 0.5-alt1
Summary: A Periodic Table of Elements for Enlightenment
Changelog:
- first build for Sisyphus
bodr Jan 4, 2014, 01:38 AMJan 4, 2014, 01:38 AM
Version: 10-alt1
Summary: Blue Obelisk Data Repository
Changelog:
- new version
mmcalc May 14, 2013, 08:40 PMMay 14, 2013, 08:40 PM
Version: 20130514-alt1
Summary: Molar Mass Calculator
Changelog:
- new version
abinit Apr 17, 2013, 01:12 AMApr 17, 2013, 01:12 AM
Version: 6.0.4-alt1.qa1
Summary: Computational Chemistry DFT program
Changelog:
- NMU: rebuilt for debuginfo.
gromacs-gui Dec 5, 2012, 03:17 PMDec 5, 2012, 03:17 PM
Version: 0.5.2-alt6
Summary: GUI for molecular dynamics package, GROMACS
Changelog:
- Fixed build with glibc 2.16
gromacs Aug 12, 2012, 12:18 AMAug 12, 2012, 12:18 AM
Version: 4.0.7-alt8
Summary: Molecular dynamics package
Changelog:
- Built with OpenBLAS instead of GotoBLAS2
RasMol Apr 22, 2012, 04:44 PMApr 22, 2012, 04:44 PM
Version: 2.7.5.2-alt3
Summary: Molecular Graphics Visualisation Tool
Changelog:
- rebuilt with current NearTree
xcrysden Jun 25, 2011, 01:42 PMJun 25, 2011, 01:42 PM
Version: 1.5.21-alt4
Summary: X-window CRYstalline Structure and DENsities
Changelog:
- BR += libXext-devel
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