Frieda Reichsman wrote: > > On Oct 15, 2007, at 11:45 AM, Angel Herraez wrote: > >> SITE 1 CAT 3 SER A 200 GLU A 327 HIS A 440 >> >> would give e.g. >> >> define site_CAT SER200:A, GLU327:A, HIS440:A >> >> right? >> >> then, you could >> select site_CAT >> >> >> That must be done within the pdb reader, I guess. >> >> For sure the Master can take care of this in a snap :-) > > it's done. Yes, in the PDB and the CIF reader.
> This would be a powerful piece of code for Jmol. Eric Martz > implemented a similar thing in Protein Explorer (see the "Features of > the Molecule" control panel in PE) and it is wicked cool, not to > mention incredibly useful. > > There can be more than one "site" defined in a pdb file, for example > catalytic as opposed to ligand-binding, and there can be more than one > of each, of course. I don't know how much that would complicate > things. At present, a minority of pdb file define sites, but still, a > very useful feature when the definitions are there. > > Frieda > > > /////////////////////////////////////////// > > > Frieda Reichsman > > Molecules in Motion > > Interactive Molecular Structures > > http://www.moleculesinmotion.com > > > /////////////////////////////////////////// > > > >------------------------------------------------------------------------ > >------------------------------------------------------------------------- >This SF.net email is sponsored by: Splunk Inc. >Still grepping through log files to find problems? Stop. >Now Search log events and configuration files using AJAX and a browser. >Download your FREE copy of Splunk now >> http://get.splunk.com/ > >------------------------------------------------------------------------ > >_______________________________________________ >Jmol-users mailing list >[email protected] >https://lists.sourceforge.net/lists/listinfo/jmol-users > > -- Robert M. Hanson Professor of Chemistry St. Olaf College Northfield, MN http://www.stolaf.edu/people/hansonr If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------- This SF.net email is sponsored by: Splunk Inc. Still grepping through log files to find problems? Stop. Now Search log events and configuration files using AJAX and a browser. Download your FREE copy of Splunk now >> http://get.splunk.com/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
