[Chimera-users] help with simple python script
Scott Classen
sclassen at lbl.gov
Tue Apr 27 15:14:14 PDT 2010
Hi all,
I have a number of PDB files that I would like to open, run a buriedArea calculation, save the results to a file, and exit
I can put a bunch of commands in a file and launch it from a terminal shell
chimera --nogui --nostatus --script calculate_buriedArea.com > results.txt
the calculate_buriedArea.com file looks like this:
open my.pdb
measure buriedArea #0:.A #0:B
This works, but is a bit cumbersome. I would like to make a python script so I can call my calculation with the name of the PDB file on the command line like this:
chimera --nogui --nostatus --script calculate_buriedArea.py -- my.pdb
.... so can someone please get me started here?
import chimera
myfile = chemera.somefunctiontoopenaPDBfile($1)
Thanks,
Scott
More information about the Chimera-users
mailing list