From: Andrea S. <and...@gm...> - 2006-07-24 09:23:12
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Hi, the command intra_fit was the one! However, if I'd like to visualize the first, let's say, 20 structures of my bundle? thanks again andrea 2006/7/19, Robert Campbell <rl...@po...>: > Hi, > > * Joel Tyndall <joe...@ot...> [2006-07-15 14:29] wrote: > > Hi andrea, > > > > you can easily do this by > > > > split_states my_struct > > dele my_struct > > > > > > for the NMR ensemble, then I would use the action menu, align function > > and align them to state_1. This is in effect aligning the separate > > states as objects, unless I misunderstood you > > > > J > > > > Andrea Spitaleri wrote: > > > Hi all, > > > in pymol is it possible to align states rather than object. I mean, I > > > have loaded a pdb file with n-structures and I'd like to align each of > > > them on the first one of the bundle. > > If in fact the n-structures contain all the same atoms, then you can use > the intra_fit command instead: > > PyMOL> help intra_fit > > intra_fit > > DESCRIPTION > > "intra_fit" fits all states of an object to an atom selection > in the specified state. It returns the rms values to python > as an array. > > USAGE > > intra_fit (selection),state > > PYMOL API > > cmd.intra_fit( string selection, int state ) > > EXAMPLES > > intra_fit ( name ca ) > > PYTHON EXAMPLE > > from pymol import cmd > rms = cmd.intra_fit("(name ca)",1) > > SEE ALSO > > fit, rms, rms_cur, intra_rms, intra_rms_cur, pair_fit > > > Cheers, > Rob > -- > Robert L. Campbell, Ph.D. > Senior Research Associate/Adjunct Assistant Professor > Department of Biochemistry, Queen's University > Kingston, ON K7L 3N6 Canada > <rl...@po...> http://adelie.biochem.queensu.ca/~rlc > phone: 613-533-6821 fax: 613-533-2497 > PGP Fingerprint: 9B49 3D3F A489 05DC B35C 8E33 F238 A8F5 F635 C0E2 > > ------------------------------------------------------------------------- > Take Surveys. Earn Cash. Influence the Future of IT > Join SourceForge.net's Techsay panel and you'll get the chance to share your > opinions on IT & business topics through brief surveys -- and earn cash > http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV > _______________________________________________ > PyMOL-users mailing list > PyM...@li... > https://lists.sourceforge.net/lists/listinfo/pymol-users > -- Why stand on a silent platform? Fight the war, fuck the norm (RATM) |