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.
07 11 06
ReplyDeleteKryomol 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:)