error modeller running : restrain in sec. structure during modeling
Please help me ....where is the problem:error is :-------------------------- Could not find platform independent libraries <prefix> Could not find platform dependent libraries <exec_prefix> Consider setting $PYTHONHOME to <prefix>[:<exec_prefix>] 'import site' failed; use -v for traceback File "Sec-struct-restrain-copy.py", line 10 def special_restraints(self, aln): ^ IndentationError: expected an indented block ------------------------------here is the python script for model building:#model with restrainin sec. structure and optimization after modeling, by MD from modeller import * from modeller.automodel import * # Load the automodel class
# directories for input atom files
class MyModel (automodel): def special_restraints(self, aln):
# Residues should be an alpha helix: rsr.add(secondary_structure.alpha(self.residue_range(’10:’, ’30:’))) rsr.add(secondary_structure.alpha(self.residue_range(’41:’, ’49:’))) rsr.add(secondary_structure.alpha(self.residue_range(’54:’, ’59:’))) rsr.add(secondary_structure.alpha(self.residue_range(’61:’, ’66:’))) rsr.add(secondary_structure.alpha(self.residue_range(’80:’, ’100:’))) rsr.add(secondary_structure.alpha(self.residue_range(’104:’, ’107:’))) rsr.add(secondary_structure.alpha(self.residue_range(’180:’, ’200:’))) rsr.add(secondary_structure.alpha(self.residue_range(’202:’, ’207:’))) rsr.add(secondary_structure.alpha(self.residue_range(’210:’, ’219:’))) # Residues should be beta-strands: rsr.add(secondary_structure.strand(self.residue_range(’111:’, ’116:’))) rsr.add(secondary_structure.strand(self.residue_range(’133:’, ’135:’))) rsr.add(secondary_structure.strand(self.residue_range(’144:’, ’146:’))) rsr.add(secondary_structure.strand(self.residue_range(’158:’, ’164:’)))
log.verbose() env = environ() env.io.atom_files_directory = ['.', './template_struc'] a = automodel (env,
alnfile = ’Q99720-3CIA_AA.ali’, # alignment filename knowns = ’3CIA_A’, # codes of the templates sequence = ’Q99720’) # code of the target a.starting_model= 1 # index of the first model a.ending_model = 10 # index of the last model
--------------------------------------------please help me out ......i am trying last few months for this .. I will be highly thankful to you. RegardsPKG
Dr. Pawan Kumar GuptaResearch Scientist CNS, Active Compound Library Latvian Institute of Organic SynthesisRiga, Latvia Office: +371-22374710 Website: https://sites.google.com/site/pawanpharma79/
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On Tue, Aug 4, 2015 at 11:07 AM, Pawan K. Gupta pawanpharma79@yahoo.co.in wrote: > Could not find platform independent libraries <prefix> > Could not find platform dependent libraries <exec_prefix> > Consider setting $PYTHONHOME to <prefix>[:<exec_prefix>] > 'import site' failed; use -v for traceback
That looks like there is a problem with your Modeller installation. Which operative system are you using?
> File "Sec-struct-restrain-copy.py", line 10 > def special_restraints(self, aln): > ^ > IndentationError: expected an indented block
As the error says, the indentation is wrong. It should be:
class MyModel (automodel): def special_restraints(self, aln): rsr.add(secondary_structure.alpha(self.residue_range(’10:’, ’30:’)))
Note that in Python indentation is part of the semantics.
/David.
2015-08-04 20:37 GMT+02:00 David Menéndez Hurtado < david.menendez.hurtado@scilifelab.se>:
> On Tue, Aug 4, 2015 at 11:07 AM, Pawan K. Gupta > pawanpharma79@yahoo.co.in wrote: > > Could not find platform independent libraries <prefix> > > Could not find platform dependent libraries <exec_prefix> > > Consider setting $PYTHONHOME to <prefix>[:<exec_prefix>] > > 'import site' failed; use -v for traceback > > That looks like there is a problem with your Modeller installation. > Which operative system are you using? >
This is actually an harmless message. Check e.g. https://salilab.org/modeller/release.html point 1 of known issues.
massimo
participants (3)
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David Menéndez Hurtado
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massimo sandal
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Pawan K. Gupta