Dear Modeller users,
I was trying to use the script for the loop refinement, however I want to use several templates codes. I tried to add them as: knowns = '5fd1', '1tre', '1j8h' , # codes of the templates and received an error:
File "loop_model.py", line 13 knowns = '1tcrA','3mbeC','2q86A','3c6lA','1j8hD', #templates SyntaxError: non-keyword arg after keyword arg
How should I specify them?
# Homology modeling by the automodel class from modeller import * from modeller.automodel import * # Load the automodel class
log.verbose() env = environ()
# directories for input atom files env.io.atom_files_directory = ['.', '../atom_files']
a = loopmodel(env, alnfile = 'alignment.ali', # alignment filename knowns = '5fd1', # codes of the templates sequence = '1fdx') # 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.md_level = None # No refinement of model
a.loop.starting_model = 1 # First loop model a.loop.ending_model = 4 # Last loop model a.loop.md_level = refine.fast # Loop model refinement level
a.make() # do homology modeling
thanks a lot for your help
/Urszula
Urszula,
When declaring multiple known files you declare them within parenthesis as follows.
known = ( '5fd1' , '1tre' , '1j8h' )
Therefore, the completed loopmodel command would be.
a = loopmodel (env , alnfile = 'alignment.ali' , #alignment file known = ( '5fd1' , '1tre' , '1j8h' ) , #codes of the templates sequence = '1fdx' ) #code the target
This is the same for other model routines which accept more than one template.
Hope this helps.
David
On 12/1/12 2:38 PM, Urszula Uciechowska wrote: > Dear Modeller users, > > I was trying to use the script for the loop refinement, however I want to use several templates codes. > I tried to add them as: knowns = '5fd1', '1tre', '1j8h' , # codes of the templates > and received an error: > > File "loop_model.py", line 13 > knowns = '1tcrA','3mbeC','2q86A','3c6lA','1j8hD', #templates > SyntaxError: non-keyword arg after keyword arg > > How should I specify them? > > # Homology modeling by the automodel class > from modeller import * > from modeller.automodel import * # Load the automodel class > > log.verbose() > env = environ() > > # directories for input atom files > env.io.atom_files_directory = ['.', '../atom_files'] > > a = loopmodel(env, > alnfile = 'alignment.ali', # alignment filename > knowns = '5fd1', # codes of the templates > sequence = '1fdx') # 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.md_level = None # No refinement of model > > a.loop.starting_model = 1 # First loop model > a.loop.ending_model = 4 # Last loop model > a.loop.md_level = refine.fast # Loop model refinement level > > a.make() # do homology modeling > > thanks a lot for your help > > /Urszula > _______________________________________________ > modeller_usage mailing list > modeller_usage@salilab.org > https://salilab.org/mailman/listinfo/modeller_usage
participants (2)
-
David Johnson
-
Urszula Uciechowska