On 9/23/22 4:52 AM, Joel Subach via modeller_usage wrote: > Hello, for the above topic I have a heptamer, accordingly should my > missing residue > code for chains A-G be just and A-chain indication with the B-G being > modeled via default or should I designate each chain, see below: > > return Selection(self.residue_range(`88:A´, `100:A´))
This will just refine the loop in the A chain.
> return Selection(self.residue_range('88:A', '100:A'), > self.residue_range('88:B', '100:B'), > self.residue_range('88:C', '100:C'), > self.residue_range('88:D', '100:D'), > self.residue_range('88:E', '100:E'), > self.residue_range('88:F', '100:F'), > self.residue_range('88:G', '100:G')) > > I tried the later (A-G coding) and received the below error where there > should be this missing residue? > * > * > *raise KeyError("No such %s: %s" % (indxtyp, indx)) > * > *KeyError: 'No such residue: 88:B'*
You are probably assuming that Modeller numbers the residues in each chain starting from 1. It doesn't by default, although you can ask it to do so: https://salilab.org/modeller/10.3/manual/node30.html
Ben Webb, Modeller Caretaker