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

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 me.lixue@gmail.com 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 > >