[phenixbb] How to rebuild a molecular only

Thomas C. Terwilliger terwilliger at lanl.gov
Fri Jul 8 20:08:29 PDT 2011

Hi Wei Feng,

You can do this:

  phenix.find_ncs my_8_molecules.pdb

to get the NCS relationships in your structure into

Then build chain A and put it in chainA.pdb. Then run

  phenix.apply_ncs find_ncs.ncs_spec chainA.pdb

and it will generate all 8 copies for you.

I hope that helps!
All the best,
Tom T

>> Dear All,
>> There are 8 moleculars in an asymmetry unit, but only one molecular should
>> be rebulit, what can I do ?
>> Thanks a lot!
>> Wei Feng
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