On 14/10/2023 23:34, Zhu JiaPeng wrote:
Dear all,
I am currently working with a protein containing multiple subunits.
For each subunit, I need Coot to perform rigid body fitting followed
by real-space refinement. Manually inputting the Python commands
rigid_body_refine_zone(reso_start,
Dear all,
I am currently working with a protein containing multiple subunits. For each
subunit, I need Coot to perform rigid body fitting followed by real-space
refinement. Manually inputting the Python commands
rigid_body_refine_zone(reso_start, resno_end, chain_id, imol) and
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
Thank you again :)
Artem
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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
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,
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
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
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
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
On 12/11/2020 11:16, Luise Kandler wrote:
Dear Coot Users,
I was wondering if there is a python/scheme scripting command to catch/get the imol number of a certain map,
that was opened in Coot. So far I could not find a suitable command in the Coot User Manual...
imol =
Dear Coot Users,
I was wondering if there is a python/scheme scripting command to
catch/get the imol number of a certain map, that was opened in Coot.
So far I could not find a suitable command in the Coot User Manual...
I would be really glad to get some feedback, thank you!
Cheers,
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