[phenixbb] Structure Comparison questions

[R.D. Oeffner]

Are your structures different MR solutions based on the same dataset? If so, then you could use phenix.find_alt_orig_sym_mate to transform one structure to the same ASU and origin as the other.

For the transformed pdb file you could then generate a corresponding mtz file using phenix.maps.

Regards,

Rob

On May 29 2013, Heather Condurso wrote:

>Dear all,
>
> I have a few related structures that I would like to compare to make figures for publication but I have a few issues. 
> The biggest issue is that my structures are large (12- 422aa chains) and any attempt at simple alignment in pymol 
> results in a crash. I would like to first compare entire structures, but also compare the differences between related 
> chains in the same structure. I want to look at the small differences in the active site density. What is the best 
> way to do this? Is there a simple way to do this or do I need to make separate pdb files for each chain? Can I use 
> the same mtz or should I rename copies?
>
>I will try a few things but any advice would be greatly appreciated.
>Heather
>condurso at bc.edu
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-- 
Robert Oeffner, Ph.D.
Research Associate, The Read Group
Department of Haematology, University of Cambridge
Cambridge Institute of Medical Research
Wellcome Trust / MRC Building, Hills Road, Cambridge, CB2 0XY
www-structmed.cimr.cam.ac.uk, tel:01223763234, mobile:07712 887162