Dear CCP4BB,
The Protein Machinists lab is hiring (
https://www.hginn.co.uk/lab_website/index.php ) at DESY, Hamburg
Germany!
The Protein Machinists group specialises in establishing the basic
fundamentals of computationally expressing protein movement. Our
algorithms and concepts are
, for reasons of interpretability and elucidating the
biological impact. This model isn’t perfect either, and necessitates its
own compromises - but will provide another tool in the structural
biology arsenal.
—-
Dr Helen Ginn
Group leader, DESY
Hamburg Advanced Research Centre for Bioorganic
tion).
I'd recommend it to anyone who is looking to classify/understand
conformational changes across a range of related structures, regarding
both large and subtle modes of motion.
Best wishes
Helen
Dr Helen Ginn
Group leader, DESY
Hamburg Advanced Research Centre for Bioorganic Chemistry (HA
Hi Pietro!
As for free and open-source (GPLv3 license) refinement software, I am
developing Vagabond.
https://vagabond.hginn.co.uk
It is based on refining bond torsion angles in an ensemble of related
structures which also captures flexibility (no B factors!). There are no
restraints, only
;
> I’m afraid I don’t understand why the XML file was not written in your case,
> are you sure the path shown in the “Command Line” output from the GUI is OK
> for writing to?
>
> Best wishes,
>
> Andrew
>
>
>
>> On 11 Jul 2019, at 13:34, Helen Ginn wrote:
>&
Dear Mike,
No problem! Happy to provide suggestions, though I'd prefer to be addressed
directly on here.
Here's another suggestion, no promises. If you can provide more detail on the
GUI input and the output log files, it would be easier to know why this is
happening in the first place.
.
If so, best set it to a user directory you can write to.
Best wishes
Helen Ginn
> Date:Mon, 8 Jul 2019 12:21:39 +0530
> From:Mike Xishan
> Subject: Error in Aimless task!
>
> Hello everyone,
>
> Data reduction with Aimless from (CCP4i) fails with error message as b
