From owner-chemistry@ccl.net Mon Apr 27 18:07:00 2009 From: "Marc Baaden baaden(!)smplinux.de" To: CCL Subject: CCL: Programs for molecular surface calculations and a question about QCPE Message-Id: <-39183-090427180211-6134-Hn8UzV3N3uiBa2JvLbsOYA||server.ccl.net> X-Original-From: "Marc Baaden" Date: Mon, 27 Apr 2009 18:02:07 -0400 Sent to CCL by: "Marc Baaden" [baaden---smplinux.de] Dear CCL, I am currently looking for programs performing molecular surface calculations. Of course there are lots of them as well as a wealth of algorithms. I do however have a number of restrictions which seem to limit the number of candidates (I haven't found any so far..): - I want to use the software within another (open-source) project, so source should be available, modifiable and redistributable - performance is very important - parallelisation/parallelizability would be great - approximation is acceptable - the code should determine a mesh, ie vertices, faces and normals I'd be very grateful for any suggestions. Thank you in advance! Marc Baaden By the way, I was also testing programs referred to in publications etc. and one of those is MSEED. It is supposed to be available via QCPE, but I actually couldn't find any working webpage with access to QCPE programs. Has QCPE disappeared?