[ccp4bb]

From: protein chemistry
Date: 1 April 2012 19:42
Dear All,
 
I have one query regarding the atom number in the coordinates. Before i began with my coordinate submission i need to put TER cap at the end of  chains/polymers, but that may lead to change in atom number for the subsequent residues/molecules. i need to know is there any way to do this or i shall leave it and submit the coordinates directly.

Thanks in advance

Abraham



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From: Marcus Fislage

Dear Abraham,

after you added all TER signal and have all rows with atom number present you can use pdbset to renumber all atoms. For this take care that you call first your TER signal ATOM (otherwise this row will be deleted).

Regards

Marcus

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From: Mark J van Raaij
or you can just give the TER card an arbitrary number higher than your highest ATOM number - the PDB coordinate submission server will take care of renumbering.
Mark J van Raaij