Jmol users: Two very simple additions may be of interest to some. See http://www.stolaf.edu/people/hansonr/jmol/test/proto/new.htm for examples.
(1) Super-fast solvent-accessible surfaces. (As defined by http://www.netsci.org/Science/Compchem/feature14e.html) spacefill +1.2 the plus sign indicates that we wish to draw the sphere "1.2 angstroms beyond the van der Waals radius", and this is VERY fast in Jmol. (2) New select option for protein/nucleic acid sequences finds specified sequences. You can now use one-character sequences in "within()" selection expressions. select within("[SEQUENCE"],(atom expression)) for example: select within("GGCTTTA",*); color red select within("AGCY",*.CA); color green This should say what you think it says: "Select all the atoms in the sequence GGCTTTA" and "Select all the alpha carbons in the sequence "ala-gly-cys-tyr". -- sort of a substructure() command for biomolecules. Interestingly, this syntax can equally well be read the other way: "Find all the sequences GGCTTTA in all the atoms" because it is really just an "and" operation. That's probably more what people might be interested in, I would think. In any case, both interpretations amount to the same thing. Bob Hanson ------------------------------------------------------------------------- Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your opinions on IT & business topics through brief surveys -- and earn cash http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
