[phenixbb] Tell phenix.autosol to find more heavy atoms?

[Francis E Reyes]

I have a SAD map which is beautiful, but I want to look for more heavy  
atoms before further refinement...


Would the proper procedure be....


SAD dataset, reading heavy-atom sites from a PDB file written by  
phenix.hyss:
phenix.autosol 11 Pb data=deriv.sca seq_file=seq.dat \
   sites_file=deriv_hyss_consensus_model.pdb
This will carry out the usual structure solution process, but will  
read sites from deriv_hyss_consensus_model.pdb, try both hands, and  
carry on from there. If you know the hand of the substructure, you can  
fix it with have_hand=True.


Would there be a PDS friendly way to do this (not necessary though) ?  
i.e. phenix.autobuild after_autosol
---------------------------------------------
Francis Reyes M.Sc.
215 UCB
University of Colorado at Boulder

gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D

8AE2 F2F4 90F7 9640 28BC  686F 78FD 6669 67BA 8D5D

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