Daniel > rms = cmd.rms (selection1, selection2)
will fail outright because "rms" is a PyMOL keyword. PyMOL only passes input off to Python if it doesn't see a keyword following by a space as the first word of the input line. Eliminating that first space, using a different variable name, or adding a preceeding forward slash will all work: # invalid, since rms is a keyword: rms = cmd.rms (selection1, selection2) # valid, since preceeding slash sends remainder of text straight to Python /rms = cmd.rms (selection1, selection2) # valid, since "rms=" is not a keyword rms= cmd.rms (selection1, selection2) # valid, since "my_rms" is not a keyword my_rms = cmd.rms (selection1, selection2) Cheers, Warren -- Warren L. DeLano, Ph.D. Principal Scientist . DeLano Scientific LLC . 400 Oyster Point Blvd., Suite 213 . South San Francisco, CA 94080 USA . Biz:(650)-872-0942 Tech:(650)-872-0834 . Fax:(650)-872-0273 Cell:(650)-346-1154 . mailto:war...@delsci.com > -----Original Message----- > From: pymol-users-ad...@lists.sourceforge.net > [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of > Daniel Hasenpusch > Sent: Tuesday, July 19, 2005 5:44 AM > To: pymol-users@lists.sourceforge.net > Subject: [PyMOL] how to save pymol values in extra file > > Hi, > > I need the rms values from pymol in an extra output file. > I tried to make it the same way like in the pymol / python > example for intra_rms. > > rms = cmd.rms (selection1, selection2) > > but it doesn't work. > > Is this command line correct, or there are other > possibilities to get access to the variables printed in the > Pymol-window? >
