What is the easiest way in Jmol to obtain the HETNAM from the
3-character HET abbreviation in the HETATM record? For example,
something along these lines:
getHETNAM("NAG") would return
N-ACETYL-D-GLUCOSAMINE
getHETNAM("EBW") would return
4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM
(both examples from 1e3q)
A brute force method would be to "show pdbheader", capture it in the
messageCallback stream, and parse out the HETNAM info using
javascript. Is there something more elegant built into Jmol? If not,
should there be?
(Brute force methods have been implemented in Protein Explorer and
Proteopedia. Now I want something in FirstGlance in Jmol.)
Perhaps the hover report should have a parameter to show the HETNAM
in addition to the HET 3-character abbreviation? In atom properties
http://chemapps.stolaf.edu/jmol/docs/?ver=11.8#atomproperties
%H appears to be available.
Thanks, -Eric
------------------------------------------------------------------------------
This SF.Net email is sponsored by the Verizon Developer Community
Take advantage of Verizon's best-in-class app development support
A streamlined, 14 day to market process makes app distribution fast and easy
Join now and get one step closer to millions of Verizon customers
http://p.sf.net/sfu/verizon-dev2dev
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
