Category ../Sciences/Chemistry

libxc Jan 11, 2023, 07:20 AMJan 11, 2023, 07:20 AM
Version: 6.1.0-alt1
Summary: Library of exchange-correlation functionals for density-functional theory
Changelog:
- New version.
platon Dec 28, 2022, 08:24 AMDec 28, 2022, 08:24 AM
Version: 20221205-alt1
Summary: PLATON is a versatile SHELX compatible multipurpose crystallographic tool
Changelog:
- new version
shelxle Sep 30, 2022, 06:59 AMSep 30, 2022, 06:59 AM
Version: 1.0.1432-alt1
Summary: A Qt GUI for SHELX
Changelog:
- new cersion
mmcalc Jun 19, 2022, 01:28 PMJun 19, 2022, 01:28 PM
Version: 20220619-alt1
Summary: Molar Mass Calculator
Changelog:
- new version
openbabel Dec 8, 2021, 08:20 PMDec 8, 2021, 08:20 PM
Version: 3.1.1-alt2
Summary: Chemistry software file format converter
Changelog:
- updated to openbabel-3-1-1-73-gf3ed2a9a5
xdrawchem Dec 8, 2021, 11:05 AMDec 8, 2021, 11:05 AM
Version: 1.10.2-alt2
Summary: XDrawChem is a two-dimensional molecule drawing program
Changelog:
- updated from upstream git to 1.10.2-1-9-g892acac (required openbabel-3)
- fixed License tag
gnome-chemistry-utils Dec 8, 2021, 12:10 AMDec 8, 2021, 12:10 AM
Version: 0.14.17-alt9.1
Summary: A set of chemical utilities
Changelog:
- rebuild against libopenbabel.so.7
DSR Oct 16, 2021, 01:05 PMOct 16, 2021, 01:05 PM
Version: 235-alt1
Summary: DSR - A program for modelling of disordered solvents with SHELXL
Changelog:
- new version
- URL changed
chemtool Mar 25, 2021, 04:30 PMMar 25, 2021, 04:30 PM
Version: 1.6.14-alt2
Summary: A program for 2D drawing organic molecules
Changelog:
- fixed ftbfs
- updated license tag
RasMol Jun 16, 2019, 05:13 PMJun 16, 2019, 05:13 PM
Version: 2.7.5.2-alt5
Summary: Molecular Graphics Visualisation Tool
Changelog:
- E2K: avoid explicit -lgfortran (f2c)
- spec converted to UTF-8
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)
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
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