27 Apr
2010
27 Apr
'10
3:14 p.m.
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