Tom,

Thanks a lot

From: Tom Terwilliger <[email protected]>
To: PHENIX user mailing list <[email protected]>
Sent: Wed, November 24, 2010 3:14:06 PM
Subject: Re: [phenixbb] same origin

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

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
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Los Alamos National Laboratory
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