Dear all,
I'm manually parallelizing homology modelling (using the excellent pydoit http://pydoit.org/). However, sometimes I get an error of the type
Traceback (most recent call last): > File "d:\data\modeller\cocopod\cocopod/make_homology_model.py", line > 138, in <module> > a.make() > File "c:\bin\Modeller\modlib\modeller\automodel\automodel.py", line 116, > in make > self.rd_restraints() > File "c:\bin\Modeller\modlib\modeller\automodel\automodel.py", line 204, > in rd_restraints > self.restraints.append(file=self.csrfile) > File "c:\bin\Modeller\modlib\modeller\restraints.py", line 77, in append > return _modeller.mod_restraints_read(self.__mdl.modpt, fh.file_pointer) > TypeError: dstr_token_E> Could not read an integer at position -1 in input > R 3 1
I'm guessing this happens as one instance of modeller reads an incomplete *.rsr file another instance is writing. (The error does not happen if I run the modelling sequentially, and happens at a random interval otherwise).
*My question is: can I rename the *.rsr and *.ini and *.sch files that automodel is using, so **that each instance will have a unique ID?*
Thanks & best, Ajasja Ljubetič
PS: Currently I'm using automodel with some additional alpha restraints
a = AlphaModel(env, alnfile=args.alnfile, knowns=knowns, sequence=sequence, inifile=args.initial_model, assess_methods=[assess.DOPE, assess.GA341, assess.normalized_dope])
a.max_var_iterations = int(args.max_var_iterations) a.md_level = md_opt_dict[args.md_level]
a.repeat_optimization = int(args.repeat) a.initial_malign3d = True
a.starting_model = int(args.start_index) a.ending_model = int(args.end_index)