Category Sciences/Chemistry

BALL Feb 25, 2020, 08:05 PMFeb 25, 2020, 08:05 PM
Version: 1.4.3_beta1.793.git37fc53c-alt3
Summary: Biochemical Algorithms Library
Changelog:
- Fixed linking error.
pymol May 14, 2019, 01:27 PMMay 14, 2019, 01:27 PM
Version: 2.3.0-alt1
Summary: Python-enhanced molecular graphics tool
Changelog:
- new version (2.3.0) with rpmgs script
openbabel Apr 23, 2019, 08:03 PMApr 23, 2019, 08:03 PM
Version: 2.4.1-alt4
Summary: Chemistry software file format converter
Changelog:
- Fixed build on aarch64 and ppc64le (-Wnarrowing).
platon Apr 12, 2019, 06:08 PMApr 12, 2019, 06:08 PM
Version: 20190410-alt1
Summary: PLATON is a versatile SHELX compatible multipurpose crystallographic tool
Changelog:
- new version
shelxle Apr 12, 2019, 05:57 PMApr 12, 2019, 05:57 PM
Version: 1.0.955-alt1
Summary: A Qt GUI for SHELX
Changelog:
- new version
xcrysden Mar 26, 2019, 03:20 PMMar 26, 2019, 03:20 PM
Version: 1.5.60-alt1
Summary: X-window CRYstalline Structure and DENsities
Changelog:
- new version 1.5.60 (with rpmrb script)
- put changed things in the spec
avogadro Feb 7, 2019, 03:19 PMFeb 7, 2019, 03:19 PM
Version: 1.2.0-alt5
Summary: An advanced molecular editor for chemical purposes
Changelog:
- rebuild with python-module-sip-4.9.13
RasMol Feb 2, 2019, 03:29 PMFeb 2, 2019, 03:29 PM
Version: 2.7.5.2-alt4
Summary: Molecular Graphics Visualisation Tool
Changelog:
- rebuilt with current NearTree
abinit Jan 26, 2019, 04:01 PMJan 26, 2019, 04:01 PM
Version: 8.10.2-alt1
Summary: Computational Chemistry DFT program
Changelog:
- 8.10.2 rebuilt for sisyphus (NB: without offline docs)
- spec cleanup
DSR Jan 20, 2019, 08:42 AMJan 20, 2019, 08:42 AM
Version: 219-alt1
Summary: DSR - A program for modelling of disordered solvents with SHELXL
Changelog:
- new version
gperiodic Dec 27, 2018, 12:20 AMDec 27, 2018, 12:20 AM
Version: 3.0.3-alt1
Summary: Program for browsing the periodic table
Changelog:
- new version (watch file uupdate)
gnome-chemistry-utils Aug 10, 2018, 12:06 PMAug 10, 2018, 12:06 PM
Version: 0.14.17-alt8
Summary: A set of chemical utilities
Changelog:
- disabled gnumeric support incompatible with 1.12.42
xdrawchem Jun 24, 2018, 05:46 AMJun 24, 2018, 05:46 AM
Version: 1.10.2-alt1
Summary: XDrawChem is a two-dimensional molecule drawing program
Changelog:
- new version (1.10.2) with rpmgs script
- build with Qt5
mmcalc Sep 1, 2017, 08:28 PMSep 1, 2017, 08:28 PM
Version: 20170901-alt1
Summary: Molar Mass Calculator
Changelog:
- new version
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)
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
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
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