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
[log in to unmask]
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:[log in to unmask]] En nombre de Paul
Emsley
Enviado el: jueves, 16 de noviembre de 2017 17:32
Para: [log in to unmask]
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 ")'
|