Hi all, I have several concatinated PDB files and am trying to calculate RMSDs of each state(or frame) within the PDB files with respect to reference file. How can I loop over the states within the concatenated PDB files?
I tried to do this: #load PDBs load reference.pdb, ref load 100samples-1.pdb, md1, multiplex=0 load 100samples-2.pdb, md2, multiplex=0 python group = ["md1", "md2"] for i in group: for j in i: rmsd = cmd.pair_fit(j, "ref") print rmsd python end but it assigned j to "m" then "d" etc. instead of the states within md1, md2...? Should I load the concatenated PDBs differently or what is the issue? Thanks! -- Ara
------------------------------------------------------------------------------
_______________________________________________ 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
