from pymol import cmd def removealt(obj="(all)", keep="A"): """ removeAlt -- remove all alternate location-atoms not of altloc "keep" from object. input: obj -- the object(s) to remove the atoms frmo keep -- which type of alt loc to keep output: none -- removes atoms examples: removeAlt # remove all altLocations that aren't altloc A removeAlt pdbID, C # remove all but C altlocations from pdbID """ # select & remove all non A altlocs remStr = "%s and not (alt ''+%s)" % (obj, keep) cmd.remove(remStr) # reset the PDB information cmd.alter(obj, "alt=''") cmd.extend("removealt", removealt)