Re: [COOT] coot scripting question

2021-11-29 Thread Artem Evdokimov
Dear Cooters, Thanks to the helpful advice of Paul, Clemens, Eddie, Mark, Marcin, and Xavier I was able to put together a satisfactory solution to the problem at hand. Because I am lazy I put it together in PERL, which is close to useless to anyone with a modern approach to programming. However he

Re: [COOT] coot scripting question

2021-11-24 Thread Artem Evdokimov
Thank you again :) Artem - Cosmic Cats approve of this message On Wed, Nov 24, 2021 at 5:27 PM Paul Emsley wrote: > > On 24/11/2021 18:22, Artem Evdokimov wrote: > > Thank you Paul > > And many thanks to several kind folks who answered privately! > > It is always exciting to hear from the coo

Re: [COOT] coot scripting question

2021-11-24 Thread Paul Emsley
On 24/11/2021 18:22, Artem Evdokimov wrote: 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,

Re: [COOT] coot scripting question

2021-11-24 Thread Artem Evdokimov
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 wrote: > On 23/11/2021 20

Re: [COOT] coot scripting question

2021-11-24 Thread Marcin Wojdyr
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

Re: [COOT] coot scripting question

2021-11-24 Thread Paul Emsley
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