[phenixbb] Resolve NCS masks
Florian Schmitzberger
schmitzberger at crystal.harvard.edu
Sat Sep 18 10:34:38 PDT 2010
Dear All,
I would have a question regarding the use of masks in Resolve in
Phenix for density modification:
Is it possible to output the NCS and/or solvent masks Resolve is using
during the Autosol run (similar as the options from the stand alone
Resolve version) such as:
mask_as_mtz
ncs_mask_file mask.mtz
protein_mask_file
What are the best criteria (other than the final maps of course)
within the output from Phenix.resolve to judge if the NCS (and/or
solvent) mask was chosen adequately? (NCS_overlap?) I am mostly
concerned if the masks chosen do include some of the more peripheral
parts of my protein molecule and do not flatten these regions.
Secondly, it is possible within Phenix Autosol wizard to supply a pdb
file (with dummy atoms) for the mask for Resolve to construct the NCS
mask?
i.e. similar to
set mask_pdb file= dummyatom.pdb
Regards,
Florian
-----------------------------------------------------------
Florian Schmitzberger
Biological Chemistry and Molecular Pharmacology
Harvard Medical School
250 Longwood Avenue, SGM 130
Boston, MA 02115, US
Tel: 001 617 432 5602
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