Dear all,
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 numbe
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 t
(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?
On 11/16/2017 07:19 AM, Paul Emsley wrote:
On 16/11/2017 08:08, Martín Martínez Ripoll wrote:
I am trying to write a long script that, among others, runs 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-ato
ntíficas
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
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:
(se
get the view and options you
like.
Best,
Herman
Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Martín
Martínez Ripoll
Gesendet: Donnerstag, 16. November 2017 12:09
An: CCP4BB@JISCMAIL.AC.UK
Betreff: [EXTERNAL] [ccp4bb] Scripting for COOT
Dear all,
I am trying to write
