[modeller_usage] using two templates in Modeller8v2
To: <>
Subject: [modeller_usage] using two templates in Modeller8v2
From: "Thomas K. Weldeghiorghis" <>
Date: Wed, 12 Apr 2006 14:22:22 -0400 (EDT)
Reply-to:
Hi there,
I am new to modeller and I have trouble creating a homology model of a
protein using two templates. I modified the model-default.py script as
shown below and I got error messages. I would appreciate it if any one
can give me any suggestion.
Thanks.
Thomas
Here is model-default.py script I am using:
#####################################################################
# Homology modelling by the automodel class
from modeller.automodel import * # Load the automodel class
log.verbose() # request verbose output
env = environ() # create a new MODELLER environment to build this model in
# directories for input atom files
env.io.atom_files_directory = './:../atom_files'
a = automodel(env,
alnfile = 'alignment1.ali', # alignment filename
knowns = '2MDbis 1wu9', # codes of the templates
sequence = 'flq15691') # code of the target
a.starting_model= 1 # index of the first model
a.ending_model = 1 # index of the last model
# (determines how many models to
calculate)
a.make() # do the actual homology modelling
#########################################################################
my alignment file looks:
###################################################################
>P1;2MDbis
structureX:2MDbis:1 : :148 : :Eb1:Homo sapience: 1.90: 0.19
.....
>P1;1wu9 structureX:1wu9:A : :59 : :Eb1:Homo sapience: 1.90: 0.19
......
>P1;flq15691
sequence:flq15691:1: :286::q15691:Homo sapience: 2.00: -1.00
......
#####################################################################
I am getting the following error message
########################################################################
Traceback (most recent call last):
File "model-default.py", line 18, in ?
a.make() # do the actual homology modelling
File
"/usr/local/programs/modeller-8v2/modlib/modeller/automodel/automodel.py",
line 100, in make
self.homcsr(exit_stage)
File
"/usr/local/programs/modeller-8v2/modlib/modeller/automodel/automodel.py",
line 318, in homcsr
aln = self.read_alignment()
File
"/usr/local/programs/modeller-8v2/modlib/modeller/automodel/automodel.py",
line 312, in read_alignment
aln.append(file=self.alnfile, align_codes=self.knowns+[self.sequence])
File "/usr/local/programs/modeller-8v2/modlib/modeller/alignment.py",
line 36, in append
return self.__int_append('alignment.append', io, libs, vars)
File "/usr/local/programs/modeller-8v2/modlib/modeller/alignment.py",
line 68, in __int_append
libs=libs.modpt, **vars)
File "/usr/local/programs/modeller-8v2/modlib/modeller/util/top.py",
line 33, in read_alignment
return _modeller.read_alignment(aln, io, libs, *args)
_modeller.error: read_al_373E> Protein specified in ALIGN_CODES(i) was not
found in the alignment file; ALIGN_CODES( 2) = flq15691
###################################################################