Just for completeness the pythonic command line way:
coot --pdb input.pdb --auto input.mtz --python -c
'set_go_to_atom_molecule(0); set_go_to_atom_chain_residue_atom_name("B",
42, " CA ")'
Bernhard
On 17/11/2017 09:00, Martín Martínez Ripoll wrote:
We have used it in this way...
coot --pdb input.pdb ---auto input.mtz --script script.com
and then, in file "script.com", you write the corresponding instructions...
(set-go-to-atom-molecule 0)
(set-go-to-atom-chain-residue-atom-name "B" 42 " CA ")
Martin
_________________________________________
Dr. Martin Martinez-Ripoll
Research Professor Emeritus
xmar...@iqfr.csic.es
Department of Crystallography & Structural Biology
www.xtal.iqfr.csic.es
www.xtal.iqfr.csic.es/Cristalografia/
Telf.: +34 917459550
Consejo Superior de Investigaciones Científicas
Spanish National Research Council
-----Mensaje original-----
De: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] En nombre de Paul
Emsley
Enviado el: jueves, 16 de noviembre de 2017 17:32
Para: CCP4BB@JISCMAIL.AC.UK
Asunto: Re: [ccp4bb] Scripting for COOT
On 16/11/2017 13:28, Edward A. Berry wrote:
(set-go-to-atom-molecule 0)
(set-go-to-atom-chain-residue-atom-name "B" 42 " CA ")
Would those be also on the command line, or where?
You can use them on the command line like this:
coot --pdb input.pdb -c '(set-go-to-atom-molecule
0)(set-go-to-atom-chain-residue-atom-name "B" 42 " CA ")'
