Hello,

I want to write a script that does the following:

for a bunch of chains and atom numbers:
go to chain letter and atom number
do sphere refinement
if refinement parameters are ok:
accept
else:
go to chain letter atom number
if refinement parameters are ok:
accept
else:
continue

I have very good command over python, but I'm fairly new to coot, so I'm
not really sure about the coot methods and functions, specially how to
assess refinement parameters. A code snippet would be most optimal.

Best regards.

########################################################################

To unsubscribe from the COOT list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=COOT&A=1

Reply via email to