Hi all,

I try to make models from a template, with constraints (Helix) and a randomization of the coordinates for each models. I set deviation to 4.0 but MODELLER dont use it. A part of my script:

# Add Helix class mymodel(automodel): def special_restraints(self, aln): rsr = self.restraints at = self.atoms rsr.add(secondary_structure.alpha(self.residue_range('2:', '13:'))) # Build models, and assess with both DOPE and GA341 a = mymodel(env, alnfile = 'f125-1s35.ali', # alignment filename (use default: 'a = automodel', 'loopmodel' for loop, 'allhmodel' to add protons) knowns = '1j18', # codes of the templates (for multiple template, just add codes: knowns = ('1s35', '1quu')) sequence = 'f3s5', # code of the target deviation = 4.0, assess_methods =(assess.DOPE, assess.GA341)) # assessment scripts #inifile = 'my-initial.pdb') # use my initial structure

What should I do to randomize in this case? Thanks in advance, Regards

Baptiste

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