Chemical Information

There are several chemical applications out there. This is a list of the ones I find especially useful.

XDrawChem

XDrawChem is a Qt-based application to draw molecular structures.

Homepage: http://xdrawchem.sourceforge.net/

Jmol

With Jmol you can view molecules inside your browser. All you need is java enabled in your browser.

Homepage: http://jmol.sourceforge.net/

GChemistry

The Gnome Chemistry Utils provide C++ classes and Gtk+-2 widgets related to chemistry.

Homepage: http://www.nongnu.org/gchemutils/

ACDLabs

This software package -- free for students, runs via wine on Linux -- is in my opinion the best drawingapplication. It is really almost perfect and even supporting a 3D-viewer.

Homepage: http://www.acdlabs.com/

ChemTool

ChemTool is a GTK application for drawing chemical structures.

Homepage: http://ruby.chemie.uni-freiburg.de/~martin/chemtool/chemtool.html

Open Babel

Open Babel is a project designed to interconvert between many file formats used in molecular modeling and computational chemistry.

Since KDE4, Kalzium is using OpenBabel (2.1+) if you have it installed. It is used to calculate and display 3D-structures in a OpenGL-based moleculeviewer

Homepage: http://openbabel.sourceforge.net/

Ghemical

Homepage: http://www.bioinformatics.org/ghemical/ghemical/index.html

Author: Carsten Niehaus
Last update: 2011-04-29