Re: [COOT] [ccp4bb] Scripting for COOT
Thanks, Both could be useful- -c '(command)(command)' when the parameters would be different each time and avoid creating a script file for each invocation, and -script scriptfilename for something I will use often but not always so don't want to put in my startup file(s). eab On 11/17/2017 03:00 AM, 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 _ -Mensaje original- De: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] En nombre de Paul Emsley Enviado el: jueves, 16 de noviembre de 2017 17:32 Para: ccp...@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 ")'
[COOT] name of geometry window; centre_xyz?
Is there a way to open the "geometry" window (the box you open by "measures":"distances and angles") in the initialization script, and perhaps set its position on screen as well? Is there a way (interactively now) to center the screen at specified x,y,z coordinates (as opposed to centering on an atom)? eab
Re: [COOT] name of geometry window; centre_xyz?
On 17/11/2017 19:23, Edward A. Berry wrote: Is there a way to open the "geometry" window (the box you open by "measures":"distances and angles") in the initialization script, and perhaps set its position on screen as well? No, I will add it. It will be in 0.8.9. Is there a way (interactively now) to center the screen at specified x,y,z coordinates (as opposed to centering on an atom)? (set-rotation-centre 1.1 2.2 3.3) or set_rotation_center(1.1, 2.2, 3.3) # python
[COOT] middle mouse button center versus drag
Hello Paul et al., Click and drag on the middle mouse button is a quick and familiar way to translate around the scene and navigate, generally working well. However, if at the initiation of the click and drag I happen to be near an atom, the fact that I'm holding down the mouse button isn't distinguished from a single click and release, such that a re-centering first happens on whatever atom I was over (often deep back in Z direction and off to the side) and then the panning comes into play, but now I'm off horribly lost somewhere random in the molecule. Anyone else noticed this? Is there a more robust way to distinguish click and drag from click and release such that I don't have to be sure to be over empty space when starting the drag (even pretty faint atoms are still active)? Thanks, Seth p.s. Thanks also for the "o" shortcut tip to jump NCS copies equivalently. Works a treat!
