[phenixbb] same origin

[Tom Terwilliger]

Hi Ram,

You can use 

   phenix.get_cc_mtz_pdb  map_coeffs1.mtz model_2.pdb

which will create 

    offset.pdb

which is a copy of model_2.pdb, adjusted for the origin of map_coeffs_1.mtz, and therefore superimposing on model_1.pdb with space-group symmetry plus allowed origin shifts.

This will not change the hand, however.

I hope that does what you need!
-Tom T



On Nov 24, 2010, at 1:53 PM, r n wrote:

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> Hi all
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> I wanted to compare the two models from two data set. I want the MR replacement in same 
> origin to compare their them with respect to the map and model.
> 
> I tried reforigin in ccp4 , it gave me some error , that I am not aware or not clear.
> 
> I did tried overlay the two model and rfree is going up. Most likely different hands, 
> so Is there any way to compare the two model and data and modify them in Phenix
> either reindex or shift the model origin to same in all cases.
> 
> Thought phenix.xmanip could help, not seen any option to do it command line or in the GUI.
> 
> I did tried def file, but phenix.xmanip params.def , it complains me that unknown file or keyword?
> 
> any help will be appreciated.
> 
> Thanks
> ram
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Thomas C. Terwilliger
Mail Stop M888
Los Alamos National Laboratory
Los Alamos, NM 87545

Tel:  505-667-0072                 email: terwilliger at LANL.gov
Fax: 505-665-3024                 SOLVE web site: http://solve.lanl.gov
PHENIX web site: http:www.phenix-online.org
ISFI Integrated Center for Structure and Function Innovation web site: http://techcenter.mbi.ucla.edu
TB Structural Genomics Consortium web site: http://www.doe-mbi.ucla.edu/TB
CBSS Center for Bio-Security Science web site: http://www.lanl.gov/cbss




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