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 ")'
