Edit, or use coot to reorder chains If you read that edited pdb into pdbset pdbset xyzin edited.pdb xyzout edited-and-renumbered.pdb end
I think the renumbering happens automatically.. Eleanor On 14 April 2012 09:46, Bernhard Lechtenberg <bc...@cam.ac.uk> wrote: > In Coot you can use > > Extensions -> Modelling -> Reorder Chains > > Bernahrd > -- > Bernhard Lechtenberg > PhD student > Huntington lab > University of Cambridge > Department of Haematology > Cambridge Institute for Medical Research > Wellcome Trust/MRC Building, Hills Road > Cambridge, CB2 0XY > United Kingdom > > > -----Original Message----- > From: Dipankar Manna <dipanka...@aurigene.com> > Reply-to: Dipankar Manna <dipanka...@aurigene.com> > To: CCP4BB@JISCMAIL.AC.UK > Subject: [ccp4bb] Coot chain ID > Date: Sat, 14 Apr 2012 06:55:10 +0000 > > Dear All, > > > > I fitted a ligand into a structure along with SO4 and waters (COOT). > Then I did the “Merge Molecules” and did the refinement. In output PDB > file the chain ID sequence is showing B, A, C( ligand, protein and SO4 > respectively) and the ATOM numbering is starting from ligand (Chain B > instead of Chain A). How can I make the sequence A, B and C (Protein, > ligand and SO4). > > > > Best wishes > > > > Dipankar > > > > > ________________________________________________________________________ > > This e-mail and any files transmitted with it are for the sole use of > the intended recipient(s) and may contain confidential and privileged > information.If you are not the intended recipient, please contact the > sender by reply e-mail and destroy all copies of the original > message.Any unauthorized review, use, disclosure, dissemination, > forwarding,printing or copying of this email or any action taken in > reliance on this e-mail is strictly prohibited and may be unlawful. > > Visit us at http://www.aurigene.com >
