Hello Ning-- > I got this script running(use the xplor-refined nmr structure as > input), but one issue is the xplor can not read the af2 pdb file, I > tried different methods to transfer this pdb format to xplor format, > but it didn't work, I would be very grateful if you can provide > one script for this pdb format transferring. And I also attached the > af2 pdb here.
protocol.loadPDB seems load this structure fine. In the analysis script, comment-out the seqToPSF line, and uncomment the protocol.loadPDB line. You might also add the argument deleteUnknownAtoms=True argument to the loadPDB call. best regards-- Charles ######################################################################## To unsubscribe from the XPLOR-NIH list, click the following link: http://list.nih.gov/cgi-bin/wa.exe?SUBED1=XPLOR-NIH&A=1
