Hello Alan, On Tue, 16 Mar 2010 11:33:41 +0000 Alan <alanwil...@gmail.com> wrote:
> Hello there, > > I am very frustrated with a very simple command, let me show: > > PyMOL>rms (out and not hydrogen), (018.none_neutral.pdb_NEW and not > hydrogen) > ExecutiveRMS-Error: No atoms selected. > PyMOL>sele r, (018.none_neutral.pdb_NEW and not hydrogen) > Selector: selection "r" defined with 20 atoms. > PyMOL>select o, (out and not hydrogen) > Selector: selection "o" defined with 20 atoms. > PyMOL>rms o, r > ExecutiveRMS-Error: No atoms selected. > > As you can see, I can select properly but no way of using 'rms' command. > > Or "help rms" is missing something? Yes, the help for rms is missing something. What is missing is the description in the help for rms (as well as for rms_cur and fit) that the two selections that rms is comparing must contain the same atom descriptions (chain ID, residue name, residue number, atom name and segment ID). Are your molecules "out" and "018.none_neutral.pdb_NEW" identical? Cheers, Rob -- Robert L. Campbell, Ph.D. Senior Research Associate/Adjunct Assistant Professor Botterell Hall Rm 644 Department of Biochemistry, Queen's University, Kingston, ON K7L 3N6 Canada Tel: 613-533-6821 Fax: 613-533-2497 <robert.campb...@queensu.ca> http://pldserver1.biochem.queensu.ca/~rlc ------------------------------------------------------------------------------ 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 _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
