qmol

We have hosted the application qmol in order to run this application in our online workstations with Wine or directly.

Quick description about 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 Leap 15.2-42.2, xUbuntu 20.10-19.10, 17.04, Fedora 33, CentOS 8, Scientific Linux 7, and Debian 10.0-8.0 can be found at: http: //download.opensuse.org/repositories/home: /lineinthesand/.

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

Audience: Science/Research, Education.
User interface: Qt.
Programming Language: C++.
Categories: