Thanks!! Now it works!! albert En/na Warren DeLano ha escrit: > (Sorry if this is dupe -- my email client is acting up...) > > the rms_* and fit commands required that the atoms in each selection to have > matching identifiers: such as chain, resi, segi, resn, etc. You can use the > "alter" command to set the identifiers to matching values before issuing such > commands: > > alter all, segi='' > > alter c321 and chain E, chain='A' > > alter c321 and chain I, chain='B' > > etc. > > Cheers, > Warren > > ________________________________ > > From: Albert Solernou [mailto:alb...@mmb.pcb.ub.es] > Sent: Thu 4/23/2009 9:42 AM > To: pymol-users@lists.sourceforge.net > Subject: [PyMOL] rms_cur, rms, fit - No atoms selected > > > > I'm new at pymol, and I'm trying to use the commands rms and rms_cur. > > I have two pdb files, with two proteins in each. > First, I load the files > >> load 1acb_321000.pdb, c321 >> load 1acb_dock.pdb, dock > > then I select the backbone of the B chain of each complex, >> select lc, /c321//b//ca+c+n+o >> select lr, /dock//b//ca+c+n+o > > Everything works until here. Each selection is showed on the screen, and > they are 207 atoms each. Now I want to get the rms value without > superimposing: > >> rms_cur lc, lr > > but it does not work: > ExecutiveRMS-Error: No atoms selected. > It also does not work with rms or fit commands, although it works with > align: > >> align lc, lr > Match: read scoring matrix. > Match: assigning 69 x 69 pairwise scores. > MatchAlign: aligning residues (69 vs 69)... > ExecutiveAlign: 207 atoms aligned. > ExecutiveRMS: 5 atoms rejected during cycle 1 (RMS=0.01). > ExecutiveRMS: 2 atoms rejected during cycle 2 (RMS=0.01). > Executive: RMS = 0.006 (200 to 200 atoms) > > > I've seen that someone has reported a bug at debian's, under the version > 0.99rc6: > > http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=486254 > > > I've tried the 1.0r2-1 version (commming with ubuntu, apt-get), and > compliling the source code from the svn of the current version, 1.2-x. > Same results. > > Hope someone can help me, > albert > > ------------------------------------------------------------------------------ > Stay on top of everything new and different, both inside and > around Java (TM) technology - register by April 22, and save > $200 on the JavaOne (SM) conference, June 2-5, 2009, San Francisco. > 300 plus technical and hands-on sessions. Register today. > Use priority code J9JMT32. http://p.sf.net/sfu/p > _______________________________________________ > PyMOL-users mailing list > PyMOL-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/pymol-users > > > > > >
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