Hi Mark-- > > I was hunting in the xplor-nih-3.5/python directory, but I could not > find where I can change the violation threshold for the dihedral > restraints to zero, so all violations > zero will be reported (see > below). How could I do this? >
It is similar for dihedrals. For wrefine.py in Xplor-NIH 3.5 add this after line 124 (where dihePot is assigned) dihePot.setShowAllRestraints( True ) 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
