Jmol reads the occupancy into the altloc parameter provided the CIF file has alternate sites indicated.
select altloc=1 select altloc=2 configuration 1;display selected configuration 2;display selected etc. On Mon, Jan 11, 2010 at 9:47 AM, Phillip Barak <[email protected]> wrote: > ----- Original Message ----- > From: Robert Hanson <[email protected]> > Date: Sunday, January 10, 2010 1:24 am > Subject: [Jmol-users] Happy New Year -- some interesting new features for > Jmol 11.9.17 > To: [email protected] > > >... > > I'm working on crystallography this month. So if you have ideas in that > > regard, do speak up... > > Many cif files have occupancy fields, which indicate that a given spot is > occupied only x% of the time. Jmol currently, to the best of my > understanding, ignores the occupancy info and populates all of those spots. > I'm not exactly sure what Jmol or other molecular visualization _should_ do > with such info except to automagically populate some and not others by some > routine to come up to the desired occupancy level. Anyone else have thoughts > on the subject? > > --Phillip Barak > Univ of Wisconsin-Madison > > p.s.: many thanks to Bob for the outstanding work over these past 5 yrs! > The entire Jmol community is grateful. > > > ------------------------------------------------------------------------------ > 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 > -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 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
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