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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