[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:
ncs_mask_file mask.mtz

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  
i.e. similar to
set mask_pdb file= dummyatom.pdb



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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