Several years ago I needed a similar script. I don't remember the details, but it still works, so perhaps you'll find it useful: https://github.com/ccp4/dimple/blob/master/coots.py The function basic_script there outputs a script that loads the data, r3d_script outputs a script that generates input for Raster3D.
Marcin On Tue, 23 Nov 2021 at 21:13, Artem Evdokimov <artem.evdoki...@gmail.com> 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? Could someone recommend at least a barebones script for this? > > Many thanks :) > > Artem > > - Cosmic Cats approve of this message > > ________________________________ > > To unsubscribe from the COOT list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT&A=1 ######################################################################## 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/
