On 16/11/2017 08:08, Martín Martínez Ripoll wrote:
I am trying to write a long script that, among others, runs COOT, and for this
purpose we use something like:
coot --pdb refmac-out.pdb --auto refmac-out.mtz
However, I do not know how to include in the script an instruction or keyword to centre at a particular
residue number.
Does anybody know how to do it?
Well, presuming that refmac-out.pdb creates a molecule with index 0, you could
use
(set-go-to-atom-molecule 0)
(set-go-to-atom-chain-residue-atom-name "B" 42 " CA ")
Paul.