Dear Charles, I tried both approaches (1) wrefine_Zn.py & (2) wrefine_Zn_cs.py (below), but both give what might be the same error (with the errors at the bottom) and might be due to the way the indentation of the “try’ block is written in my scripts (4 spaces)?
end """) try: protocol.addUnknownAtoms() except protocol.CovalentViolation: pass could you give me some pointers? I attach the directory with the scrips and input files. Thanks again for all your help with this. Best, Mark ######################################################################## To unsubscribe from the XPLOR-NIH list, click the following link: http://list.nih.gov/cgi-bin/wa.exe?SUBED1=XPLOR-NIH&A=1
