Hi Bharat, your residue numbers don't match. Read about the "matchmaker" argument here: http://pymolwiki.org/index.php/Fit
Cheers, Thomas On 27 Apr 2015, at 05:46, bharat gupta <bharat.85.m...@gmail.com> wrote: > Hi, > > I am using rms_cur for calculating rmsd for two sets of structures. It works > for the first set but for the second one its gives error: > PyMOL>rms_cur sel1,sel2 > ExecutiveRMS-Error: No atoms selected. > > Here's the result for set1: > > PyMOL>select sel1, native and resid 1:53+56:72 and name P and chain M > Selector: selection "sel1" defined with 0 atoms. > PyMOL>select sel1, native and resid 142:237 and name P and chain M > Selector: selection "sel1" defined with 95 atoms. > PyMOL>select sel2, best and resid 142:237 and name P and chain B > Selector: selection "sel2" defined with 95 atoms. > PyMOL>alter all,segi="" > Alter: modified 10424 atoms. > PyMOL>alter all,chain="" > Alter: modified 10424 atoms. > PyMOL>rms_cur sel1,sel2 > Executive: RMS = 7.985 (95 to 95 atoms) > > > ============ > > Here's the result for set2: > PyMOL>select sel1, 1sj3-1_16715 and chain R and name P and resid 764:835 > Selector: selection "sel1" defined with 72 atoms. > PyMOL>select sel2, 1sj3 and chain R and name P and resid 101:172 > Selector: selection "sel2" defined with 72 atoms. > PyMOL>alter all,segi="" > Alter: modified 6110 atoms. > PyMOL>alter all,chain="" > Alter: modified 6110 atoms. > PyMOL>rms_cur sel1,sel2 > ExecutiveRMS-Error: No atoms selected. > PyMOL>rms_cur sel1,sel2 > ExecutiveRMS-Error: No atoms selected. > > What is the reason behind this ?? > > -- > Best Regards > Bharat -- Thomas Holder PyMOL Principal Developer Schrödinger, Inc. ------------------------------------------------------------------------------ One dashboard for servers and applications across Physical-Virtual-Cloud Widest out-of-the-box monitoring support with 50+ applications Performance metrics, stats and reports that give you Actionable Insights Deep dive visibility with transaction tracing using APM Insight. http://ad.doubleclick.net/ddm/clk/290420510;117567292;y _______________________________________________ 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
