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
> [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 ")'
>
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