Hi Ben,
you can use PHENIX tools for this as well. Example:
phenix.superpose_pdbs fixed.pdb moving.pdb
If no selections provided, then it will use the whole model in
superposition (and do sequence alignment if necessary), or alternatively
it will use selected parts of your model:
phenix.superpose_pdbs fixed.pdb moving.pdb selection_fixed="chain A and
name CA" selection_moving="chain B and name CA"
More details:
http://phenix-online.org/documentation/superpose_pdbs.htm
http://phenix-online.org/
Cheers,
Pavel.
On 1/24/2008 2:24 PM, Hidong Kim wrote:
Hi, Ben,
Try lsqkab. Do a superposition of the before and after coordinates of
the domain. The log file will have the rotation matrix and the
translation vector. Good luck,
Hidong
*Benjamin Brooks <[EMAIL PROTECTED]>*
Sent by: CCP4 bulletin board <[email protected]>
01/24/2008 01:58 PM
Please respond to
Benjamin Brooks <[EMAIL PROTECTED]>
To
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Subject
[ccp4bb] Real space rotation translation
I was wondering if anyone had a simple way of describing a conformational
change by measuring the rotational and translational displacement of a
domain from a starting structure.
Thank you,
Ben B
