Dear all,
I would like to write both the sequence alignment and RMSD out after run ¡°mmaker¡±, but I do NOT want to do this interactively because I have a batch of structures to deal with. I found Eric¡¯s python script: structAlign.py, which is gui-only, but I do not know how to extract RMSD from the Reply Log in gui mode. Any help would be appreciated. Thanks a lot!
Btw, may I know how to run structAlign.py? Is there any command like ¡°chimera structAlign.py¡± and where should I put the input file structList? I can not run this script right now and here is the error message I got after run ¡°chimera structAlign.py¡±:
Traceback (most recent call last):
File "/home/sheng/local/bin/chimera/share/__main__.py", line 59, in ?
value = chimeraInit.init(sys.argv)
File "CHIMERA/share/chimeraInit.py", line 298, in init
chimera.openModels.open(a, prefixableType=1)
File "CHIMERA/share/chimera/__init__.py", line 1253, in open
File "CHIMERA/share/chimera/__init__.py", line 746, in _openPython
File "/home/sheng/local/bin/chimera/from_mailinglist/structAlign.py", line 18, in ?
pdb1, pdb2, output = line.strip().split()
ValueError: need more than 2 values to unpack
Error while processing structAlign.py:
ValueError: need more than 2 values to unpack
(see reply log for Python traceback info)
Best wishes,
Zhiya