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.

1 comment:

  1. 07 11 06

    Kryomol eh? Blow me down Egon! I didn't even think of researching whether or not specific programmes worked well in a KDE environment. Whoa! And I bet running Kryomol will be best on our little BSD cluster because it has been optimized for that environment. Cool! I need to add you to my blog links as a resource. Certainly everything you have on this blog is beyond useful. Thanks so much for piecing this stuff together and sharing:)