Hi: I would like to build a model staring from my own model. but it didn't work, it is said:
-------log-------------- _modeller.ModellerError: rdpdb___303E> No atoms were read from the specified input PDB file, since the starting residue number and/or chain id in MODEL_SEGMENT (or the alignment file header) was not found; requested starting position: residue number " ", chain " "; atom file name: init.pdb --------------------------
In fact in the alignment file I already add something like this:
-------------------align---------------------------- >P1;seq sequence:seq: : : : ::: 0.00: 0.00 aaaaaaaaaaaaaaaaaaaaaaaaaaaaaa >P1;init structureX:init.pdb:1 :A: :A:::-1.00:-1.00 aaaaaaaaaaaaaaaaaaaaaaaaaaaaaa >P1;temp structureX:temp.pdb:1 :A: :A:::-1.00:-1.00 aaaaaaaaaaaaaaaaaabbbbbbbbbbbb
----------script------------------------------------- class MyModel(automodel): def special_restraints(self, aln): rsr = self.restraints at = self.atoms # Two beta-strands: rsr.add(secondary_structure.strand(self.residue_range('146:', '150:'))) rsr.add(secondary_structure.strand(self.residue_range('156:', '161:')))
a = MyModel(env, alnfile='mult.ali', knowns=('tempA'), sequence='my', inifile = 'init.pdb')
a.starting_model = 1 a.ending_model = 2 ----------------------------------------------------------------------------
the seq and init share the same sequences. The starting model init.pdb contains a china named A.
could you give me some advices? THX