[phenixbb] autosol and NCS

Thomas C. Terwilliger terwilliger at lanl.gov
Wed Mar 3 18:31:34 PST 2010

Hi Huiying,
If you think that the MR NCS is correct, and the SAD data is the same cell
or one that is very close, I would expect this to work fine, yes. Note
that autosol should also be able to find the ncs automatically from the
anomalously-scattering atoms in your SAD dataset.
All the best,
Tom T

>> I have solved a structure by MR with Phaser. There are 4 copies of
>> molecules per ASU. Parts of the search model are not agreeable with the
>> new structure leading to messy density in some regions. Now a set of SAD
>> data has been collected. I want to run Autosol (MRSAD) to combine the SAD
>> and model phases, doing density modification including the NCS.
>> Can I run simple_ncs_from_pdb to get the NCS operators from the MR
>> solution pdb file and use them for Autosol?
>> Thanks for help.
>> Huiying
>> UC Irvine
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