Pages

Saturday, March 11, 2006

More chemistry in KDE

After Kalzium and kfile_chemical, KDE has now be extended with kparts for 3D structure and spectrum display: Kryomol. It is written in C++ and licensed GPL. It supports several chemistry formats, among which quantum chemical formats like Gaussian03, NwChem and ACES, and 3D structures as MDL molefile and XYZ.