Message-
From: pymol-users-boun...@lists.sourceforge.net
[mailto:pymol-users-boun...@lists.sourceforge.net] On Behalf Of
DimitryASuplatov
Sent: Wednesday, September 03, 2008 1:13 AM
To: pymol-users@lists.sourceforge.net
Subject: Re: [PyMOL] Script for iterated `align`ment
Hello,
with your help I was
DimitryASuplatov,
> I have 21 pdb files in my folder. I wrote a small script to load them
> all at once to the Pymol
[...snip...]
> I have found a pymol wiki article about CEalign
> (http://www.pymolwiki.org/index.php/Cealign) - structure alignment
> procedure that is claimed to be better than a
Hey Dimitry,
The "quiet" option (if present) is set to zero by default for parsed
PyMOL commands, but is not set for Python API calls.
align
is nearly equal to
cmd.align(quiet=0)
Thus, if you want to get rmsd output, include quiet=0 and run your
script with output redirection.
The last lin
Hello,
with your help I was able to write the following script to automatically
load 21 structure and align 20 of them to the remaining one.
*
import os
import re
from os.path import join, getsize
cmd.delete(all)
p = re.compile('[A-Za-z\.]*pdb')
w
Hello,
I have 21 pdb files in my folder. I wrote a small script to load them
all at once to the Pymol
**
import os
import re
from os.path import join, getsize
p = re.compile('[A-Za-z\.]*pdb')
w = re.compile('nowater')
for root, dirs, files in os.walk('.
