Oh, dear, that's disappointing. I will get back to you shortly.
On Tue, 19 Nov 2024 at 12:58, Otsile Mojanaga wrote:
>
> Dear Stuart
> That's okay, thank you for all your assistance so far.
> I tried the fix and it worked, but for some reason the backup file is only
> importing 1 or no jobs for
Dear Kyle,
Can you please send us (or at least to me if it is subject of
confidentiality) the keywords which worked well for you? I would like to
improve the GUI.
Cheers,
Martin
On 20/11/2024 15:54, Kyle Gregory wrote:
Dear all,
Thank you for your helpful replies.
The keyword option worked
Hi James,
Thank you for this reply.
Yes, I did want to try this but for some reason when I add to the group ID list
I cannot change the group ID from 1 to 2 so I cannot define conformer A and B
as separate group IDs. I wonder if this is a bug?
Kind regards,
Kyle
___
Dear all,
Thank you for your helpful replies.
The keyword option worked fine for me. I think there is a bug in the GUI.
Kind regards,
Kyle
From: CCP4 bulletin board on behalf of Kyle Gregory
<3632e92fcc15-dmarc-requ...@jiscmail.ac.uk>
Sent: 20 November 2024
I've never used this GUI, but I know that under the hood you want each
A/B to have its own group ID and then specify that the two groups sum to
one. The keywords look like this:
occupancy refine
occupancy group id 1 chain A residue 318 alt A
occupancy group id 2 chain A residue 318 alt B
occ
Dear all,
I am wondering - isn't such a line missing?
occupancy refine ncycle 5
(another number of cycles than 5 can be specified)
We will implement specification of the number of occupancy refinement
cycles in the i2 task.
By the way, me (as a user) prefer to set occupancy manually to get
B
Dear all,
A Post-doctoral fellowship is available in our team. See details below.
Best regards,
Laurent
An ANR-funded post-doctoral position is available in the “Structural
Biology of Bacterial Macromolecular Complexes” team at Molecular
Microbiology and Structural Biochemistry Laboratory (
