Re: [modeller_usage] how to generate the ini file only

[Li Xue <>]

Ok, find the solution:

a = automodel(env, alnfile='T3mrb_Q1duz.ali',
              knowns='3mrb_AP', sequence='query_1duzAC',
              assess_methods=assess.DOPE)
aln = alignment(env)
aln.append(file='T3mrb_Q1duz.ali', align_codes=a.knowns+[a.sequence])
a.make_initial_model(aln)

On Thu, Feb 6, 2020 at 4:44 PM Li Xue <">> wrote:

Hello all,

Does anyone know how to ask modeller to generate the ini file and stop?

I tried the following but failed:

a = automodel(env, alnfile='my_alignment.ali',
              knowns='3mrb', sequence='query',
              assess_methods=assess.DOPE)
aln = alignment(env)
aln.append(file='T3mrb_Q1duz.ali')
a.transfer_xyz(aln)

Best,

Li

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Li Xue

Assistant Professor 

Structural Bioinformatics Lab

Center for Molecular and Biomolecular Informatics

Radboud University Medical Center