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 Laboratorio M-4 Dpto de Estructura de Macromoleculas Centro Nacional de Biotecnologia - CSIC c/Darwin 3 E-28049 Madrid, Spain tel. (+34) 91 585 4616 http://www.cnb.csic.es/~mjvanraaij
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). > > Regards > Marcus > ----- Original Message ----- > From: protein chemistry > To: CCP4BB@JISCMAIL.AC.UK > 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 > > Abraham > >
