OOPS - just found this in my Drafts folder from last week.... -------------------------------------------
Thanks Angel - that was certainly one of my problems! I now realize that I need a slightly more complicated approach. For the general case of "N" molecules in the asymmetric unit, is there a designation of "molecule(x)", where x runs from 1 to N? If not, I'll write a loop to find them & register them into variables... -Tom Sent from a tiny virtual keyboard. On Feb 19, 2010, at 5:11 PM, Angel Herráez <[email protected]> wrote: > The syntax is not correct: > > measure RANGE 1.8 3.2 (within(molecule,_F)) (not within(molecule,_F)) > > > > --- > --- > --- > --------------------------------------------------------------------- > Download Intel® Parallel Studio Eval > Try the new software tools for yourself. Speed compiling, find bugs > proactively, and fine-tune applications for parallel performance. > See why Intel Parallel Studio got high marks during beta. > http://p.sf.net/sfu/intel-sw-dev > _______________________________________________ > Jmol-users mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/jmol-users ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
