Hi Mark--
>
> thanks for the corrections to the script. I am seeing that the ZN
> atom does not have valid coordinates (below). I pasted my current
> script below. Also, is there something I need to do to fix the same
> errors for the termini, or should I not worry about them.
>
Please try adding this snippet before writing out the coordinates:
try:
protocol.addUnknownAtoms()
except protocol.CovalentViolation::
pass
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
