Hi all,
I'm trying of add some residues to an multimeric PDB, with a very simple model script:
env = environ()
env.io.hetatm = True
env.io.atom_files_directory = ['.', '../../atom_files']
a = automodel(env, alnfile='modelo4-2.ali',
knowns=('fil1','fil2'), sequence='modelo4-Al')
a.starting_model = 1
a.ending_model = 1
a.make()
But after a short run, the program crash with tue following message:
Traceback (most recent call last):
File "model2.py", line 32, in ?
a.make()
File "/usr/lib/modeller9v8/modlib/modeller/automodel/automodel.py", line 109, in make
self.multiple_models(atmsel)
File "/usr/lib/modeller9v8/modlib/modeller/automodel/automodel.py", line 215, in multiple_models
self.outputs.append(self.single_model(atmsel, num))
File "/usr/lib/modeller9v8/modlib/modeller/automodel/automodel.py", line 280, in single_model
self.randomize_initial_structure(atmsel)
File "/usr/lib/modeller9v8/modlib/modeller/automodel/automodel.py", line 246, in randomize_initial_structure
self.read_initial_model()
File "/usr/lib/modeller9v8/modlib/modeller/automodel/automodel.py", line 242, in read_initial_model
self.read(file=self.inifile, io=io)
File "/usr/lib/modeller9v8/modlib/modeller/model.py", line 117, in read
model_format, model_segment)
_modeller.FileFormatError: read_pd_702E> File: modelo4-Al.ini, Line 2404 Could not parse data from file; file is probably corrupt.
Curiosily, the 'modelo4-Al.ini' file is generated by modeller during the run, and I cannot bypass this problem
The alignment file is ok.
Maybe the problem is, that there is a ~40 Aa coil with no-template sequence to model (between other ssequences with template)
Any suggestion will help
Thanks
Felipe Villanelo Lizana
Bioquímico
Laboratorio de Biología Estructural y Molecular
Universidad de Chile