[modeller_usage] model.mutate problem

["Zhiqiang Ye" <yezhiqiang AT gmail.com>]

Hi, all

     I have a homodimer protein structure, it has two chains: A and B,
both of whcih start from 2.   I want to get the structure of the
mutant   K2S. So I modified the provided example: mutate_model.py to
do this job, the mainly modified part is: (I want to mutate both
chains)


mdl.pick_atoms(aln, selection_segment=("2:A", "2:A"),
           selection_status='INITIALIZE', selection_search='SEGMENT',
           selection_from='ALL')

mdl.pick_atoms(aln, selection_segment=("2:B", "2:B"),
           selection_status='ADD', selection_search='SEGMENT',
           selection_from='ALL')


But in the output model, the two chains are connected as one single
chain, and the residue number has changed start from 1, but I want the
mutant keep the original chain ID and number. How can I get this kind
of results?

Thank you very much!

Regards!
--
Zhiqiang Ye
PHD candidate