[phenixbb] phenix.get_cc_mtz_pdb but allow for atom selections.
Terwilliger, Thomas C
terwilliger at lanl.gov
Sat Mar 3 21:16:14 PST 2012
I have added the ability to pass in an atom selection to get_cc_mtz_pdb. You can now (starting with tomorrow's phenix build) say:
phenix.get_cc_mtz_pdb model.pdb map.mtz atom_selection="resid 20:30"
and this will give you your model-map correlation for residues 20-30 and also for each individual residue in this range. ( It will also give as "overall" the correlation between the entire map and the map calculated from residues 20-30 only; this is not very useful of course.)
Let me know of any problems with this.
All the best,
From: phenixbb-bounces at phenix-online.org [phenixbb-bounces at phenix-online.org] on behalf of Francis E Reyes [Francis.Reyes at colorado.edu]
Sent: Saturday, March 03, 2012 9:05 AM
To: PHENIX user mailing list
Subject: [phenixbb] phenix.get_cc_mtz_pdb but allow for atom selections.
It'd be wonderful to pass in an atom selection (say backbone, or ligand or what have you) into phenix.get_cc_mtz_pdb . Is this functionality available in some other phenix util?
Francis E. Reyes M.Sc.
University of Colorado at Boulder
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