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
Dpto de Estructura de Macromoleculas
Centro Nacional de Biotecnologia - CSIC
E-28049 Madrid, Spain
tel. (+34) 91 585 4616
On 2 Apr 2012, at 09:34, Marcus Fislage wrote:
> 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).
> ----- Original Message -----
> From: protein chemistry
> To: [log in to unmask]
> Sent: Sunday, April 01, 2012 8:42 PM
> Subject: [ccp4bb]
> 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