Nice one Pavel. PDB_REDO actually runs on these files but it's not pretty. I updated my stripper program to remove all atoms with occ<0.00 instead of 0.00 Cheers, Robbie
Date: Mon, 4 Apr 2011 07:26:23 -0700 From: pafon...@gmail.com Subject: Re: [ccp4bb] what to do with disordered side chains To: CCP4BB@JISCMAIL.AC.UK Hi Dale, Set the occupancy of a marker atom to -99.99. This will unambiguously mark the atom as an imaginary one. This will, of course, break every program that reads PDB format files, may be not every -:) phenix.model_vs_data works just fine with http://www.rcsb.org/pdb/files/1BQU.pdb http://www.rcsb.org/pdb/files/1azr.pdb (Um... I guess I just created some work for PDB_REDO folks, sorry -:) ) All the best! Pavel.
