CCL: Programs for molecular surface calculations and a question about QCPE



 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?