Thank you Paul And many thanks to several kind folks who answered privately!
It is always exciting to hear from the coot-master himself :) Sounds like I may have to cheat the graphics somehow or use pymol or raster3d. Artem On Wed, Nov 24, 2021, 10:01 AM Paul Emsley <pems...@mrc-lmb.cam.ac.uk> wrote: > On 23/11/2021 20:03, Artem Evdokimov wrote: > > Dear Cooters! > > > > I am new to this list, but would love to get a little bit of help > > scripting Coot to do something for me, like this: > > > > 1. read one PDB and one MTZ file > > 2. center on a particular location (ideally defined as e.g. a residue) > > 3. orient in a particular way (defined as a matrix or however convenient) > > 4. contour a map (difference or other) at a particular level > > 5. output a snapshot > > > > (all of this without invoking graphical output as such because I need > > this to happen a few hundred times, for a few hundred PDB-MTZ pairs. > > > > Is it doable? > > > I think so. > > > > Could someone recommend at least a barebones script for this? > > Do this interactively for one case and then save the state. Then look at > 0-coot.state.py or 0-coot.state.scm. That should give you some clues. > > As for the graphical output screenshot, I have not worked out how to do > that without invoking X11, so the alternative is to use raster3d. There > are some parameters to tweak the raster3d representation if you don't > like the default. > > Paul. > > ######################################################################## > > To unsubscribe from the COOT list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT&A=1 > > This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing > list hosted by www.jiscmail.ac.uk, terms & conditions are available at > https://www.jiscmail.ac.uk/policyandsecurity/ > ######################################################################## To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT&A=1 This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
