Building a model from multiple templates ?
Greetings ,
After went through the Basic tutorial , I wanted to build a model from multiple templates (as shown at http://www.salilab.org/modeller/manual/node21.html) For that it says "-- simply provide an alignment between all of the templates and..."
So to create the alignment between all of the templates,I modified the script "align2d.py" of step 3 (Aligning TvLDF with the template) in Basic tutorial , as follows:
------------------------------------------------------------- from modeller import *
env = environ() aln = alignment(env)
#modified from here to add several templates #template 1 mdl = model(env, file='1bdm', model_segment=('FIRST:A','LAST:A')) aln.append_model(mdl, align_codes='1bdmA', atom_files='1bdm.pdb')
#template 2 mdl = model(env, file='1b8p', model_segment=('FIRST:A','LAST:A')) aln.append_model(mdl, align_codes='1b8pA', atom_files='1b8p.pdb')
#template 3... #template 4...
aln.append(file='TvLDH.ali', align_codes='TvLDH')
aln.align2d() aln.write(file='TvLDH-mult.ali', alignment_format='PIR') aln.write(file='TvLDH-mult.pap', alignment_format='PAP') -------------------------------------------------------------
Then using the generated "TvLDH-mult.ali" file I am going to do the automdelling with multiple templates.
Is this process correct?
Thanks in advance. Umanga
Sorry for that, I saw the correct procedure in Advanced tutorial !
Ashika Umanga Umagiliya wrote: > Greetings , > > After went through the Basic tutorial , I wanted to build a model from > multiple templates (as shown at > http://www.salilab.org/modeller/manual/node21.html) > For that it says "-- simply provide an alignment between all of the > templates and..." > > So to create the alignment between all of the templates,I modified the > script "align2d.py" of step 3 (Aligning TvLDF with the template) in > Basic tutorial , as follows: > > ------------------------------------------------------------- > from modeller import * > > env = environ() > aln = alignment(env) > > #modified from here to add several templates > #template 1 > mdl = model(env, file='1bdm', model_segment=('FIRST:A','LAST:A')) > aln.append_model(mdl, align_codes='1bdmA', atom_files='1bdm.pdb') > > #template 2 > mdl = model(env, file='1b8p', model_segment=('FIRST:A','LAST:A')) > aln.append_model(mdl, align_codes='1b8pA', atom_files='1b8p.pdb') > > #template 3... > #template 4... > > aln.append(file='TvLDH.ali', align_codes='TvLDH') > > > aln.align2d() > aln.write(file='TvLDH-mult.ali', alignment_format='PIR') > aln.write(file='TvLDH-mult.pap', alignment_format='PAP') > ------------------------------------------------------------- > > Then using the generated "TvLDH-mult.ali" file I am going to do the > automdelling with multiple templates. > > Is this process correct? > > Thanks in advance. > Umanga > _______________________________________________ > modeller_usage mailing list > modeller_usage@salilab.org > https://salilab.org/mailman/listinfo/modeller_usage >
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Ashika Umanga Umagiliya