Hello Yuan-- > > I am trying to perform water refinement with the eginput/gb1_rdc/wrefine.py, > and > I needed to patch a cis-proline. I referred to a previously answered post > back in > 2013 (website link: http://article.gmane.org/ > gmane.science.biology.xplor-nih.general/1718/match=cis+proline+water+refinement), > and added the following lines as indicated in the post: > > import psfGen > protocol.loadPDB(inputStructures[1],deleteUnknownAtoms=True) > xplor.command('''patch CIPP reference=nil=(resid 202)''') >
Instead of this line, please try: psfGen.cisPeptide(202) If this doesn't work, I'll make certain to fix it. best regards-- Charles _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
