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qmol

qmol is a simple molecular weight calculator, available for Linux and Windows, derived from Tomislav Gountchev’s KMol. You can enter a formula, (e.g. CH3(CH2)2OH) and get its molecular weight (60.0959 g/mol) and its elemental composition (C3H8O: C 59.96; H 13.42; O 26.62 %).

See the features list below for more details or consult the wiki page: https://sourceforge.net/p/qmol/wiki/Home/.

For Windows binary and source code see the files section: https://sourceforge.net/projects/qmol/files/

Binary packages (rpm/deb) for
openSUSE 11.4, 13.1-13.2, Ubuntu 12.04, 14.04-15.04, Fedora 20-21, RHEL 7, Scientific Linux 7, and Debian 7.0 & 8.0 can be found at: http://download.opensuse.org/repositories/home:/lineinthesand/

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Website https://qmol.sourceforge.io/
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License
Platform
Features
  • Pre-defined groups (alkyls/aryls, amino acids)
  • User-defined groups
  • Protein/oligopeptide calculation mode
  • One-letter amino acids parsing in square brackets []
  • History of recently calculated formulas
  • Configurable output
  • Command line calculation