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 = re.compile('nowater')
for root, dirs, files in os.walk('./'):
for file in files:
<------>if p.search(file) and w.search(file):
<------> cmd.load(file)
cmd.delete('1gk9*')
cmd.fetch('1gk9')
for file1 in files:
<------>if p.search(file1) and w.search(file1):
<------> if re.search('1gk9', file1):
<------><------>continue
<------> pdb = re.search('(.+)\.pdb', file1)
<------> print pdb.group(1), ' and 1gk9'
<------> cmd.align(pdb.group(1) , '1gk9')
*************************************************
The problem is that I see only the result - aligned structures. But I
want to see the RMSD values and apply them to scrip variables. Is that
possible?
Thank you.
