Is the RMS the same as RMSD? PyMOL writes "RMS" when using align. Martin
Am 11.11.11 14:59, schrieb Thomas Holder: > Hi Martin, > > is it the transform=0 argument what you are looking for? > > http://pymolwiki.org/index.php/Align#PYMOL_API > > x = cmd.align('foo', 'bar', transform=0) > print 'RMSD:', x[0] > > About the "some kind of refinement": There are arguments "cutoff" and > "cycles" that control this behaviour. > > Cheers, > Thomas > > On 11/11/2011 02:46 PM, Martin Hediger wrote: >> Dear List. >> When aligning two structures using the PyMOL align command, one gets a >> final RMS value indicating some kind of "convergence" i would say. Can I >> somehow access the function for calculating this value directly from the >> pymol prompt without aligning? >> >> Thanks for hints >> Martin > ------------------------------------------------------------------------------ All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity, and more. Splunk takes this data and makes sense of it. IT sense. And common sense. http://p.sf.net/sfu/splunk-novd2d _______________________________________________ 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
