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
>
>
>
>
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