Re: [modeller_usage] using model-loop-refine in Modeller9v1
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Subject: Re: [modeller_usage] using model-loop-refine in Modeller9v1
From: "" <>
Date: Tue, 17 Apr 2007 18:45:06 +0800
Reply-to:
Hi,
I am new to modeller and I have trouble creating a homology model of a
protein using model-loop-refine. I modified the model-loop-refine.py script as
shown below and I got error messages.
About an hour before, I got your repaly of the 'using model-loop-refine in
Modeller9v1', you sent me a URL 'http://salilab.org/archives/modeller_usage/attachments/20070417/32969431/attachment.html'.
But I can not understand it. Could you explain it again for me?
from modeller import *
from modeller.automodel import *
log.verbose()
env = environ()
env.io.atom_files_directory = './:../atom_files'
# Create a new class based on 'loopmodel' so that we can redefine
# select_loop_atoms
class myloop(loopmodel):
# This routine picks the residues to be refined by loop modeling
def select_loop_atoms(self):
return selection(self.residue_range('53:', '67:')
(self.residue_range('89:', '96:')
(self.residue_range('118:', '144:')
(self.residue_range('166:', '177:')
(self.residue_range('199:', '221:')
(self.residue_range('243:', '254:'))
a = myloop(env,
alnfile = 'seg.ali', # alignment filename
knowns = '1u19A', # codes of the templates
sequence = 'mrg1', # code of the target
loop_assess_methods=assess.DOPE) # assess each loop with DOPE
a.starting_model= 1 # index of the first model
a.ending_model = 1 # index of the last model
a.loop.starting_model = 1 # First loop model
a.loop.ending_model = 2 # Last loop model
a.make() # do modeling and loop refinement
This is the error:
File "model-loop-refine.py", line 21
a = myloop(env,
^
SyntaxError: invalid syntax
This is the .log contents:
MODELLER 9v1, 2007/01/19, r4822
PROTEIN STRUCTURE MODELLING BY SATISFACTION OF SPATIAL RESTRAINTS
Copyright(c) 1989-2007 Andrej Sali
All Rights Reserved
Written by A. Sali
with help from
B. Webb, M.S. Madhusudhan, M-Y. Shen, M.A. Marti-Renom,
N. Eswar, F. Alber, M. Topf, B. Oliva, A. Fiser,
R. Sanchez, B. Yerkovich, A. Badretdinov,
F. Melo, J.P. Overington, E. Feyfant
University of California, San Francisco, USA
Rockefeller University, New York, USA
Harvard University, Cambridge, USA
Imperial Cancer Research Fund, London, UK
Birkbeck College, University of London, London, UK
Kind, OS, HostName, Kernel, Processor: 4, Linux linux 2.6.11.4-21.7-default i686
Date and time of compilation : 2007/01/19 13:47:34
MODELLER executable type : i386-intel8
Job starting time (YY/MM/DD HH:MM:SS): 2007/04/17 19:12:02