Re: [ccp4bb] cryoEM molecular replacement

2024-11-27 Thread Martyn Winn - STFC UKRI
Hi Gloria, I agree that ChimeraX is the easiest starting point for this. After that, the CCP-EM suite has a variety of rigid and flexible fitting methods that you can try (including em_placement in the latest). Also many validation functions, which are kind of important 😊 Our annual Icknield

Re: [ccp4bb] Poor correlation coefficient of model to cryo-EM map.

2024-01-10 Thread Martyn Winn - STFC UKRI
You can also try the CCPEM list for more cryoEM-orientated advice https://www.jiscmail.ac.uk/CCPEM and look in CCP-EM for more fitting, refinement, validation tools. Certainly, the map doesn’t look 3A, unless you have filtered it for these pictures. The CC for the middle and C-terminal domains

Re: [ccp4bb] Poor correlation coefficient of model to cryo-EM map.

2024-01-10 Thread Martyn Winn - STFC UKRI
You can also try the CCPEM list for more cryoEM-orientated advice https://www.jiscmail.ac.uk/CCPEM and look in CCP-EM for more fitting, refinement, validation tools. Certainly, the map doesn’t look 3A, unless you have filtered it for these pictures. The CC for the middle and C-terminal domains

[ccp4bb] CoSeC Conference 2023 | Call for Presentations

2023-08-01 Thread Martyn Winn - STFC UKRI
Dear All, Please see below an announcement from our umbrella organisation CoSeC. This is an annual meeting with a wider scope of computational science. Cheers Martyn Computational Science Centre for Research Communities (CoSeC) 2023 Conference 6th of December 2023 Call for Presentations - De

[ccp4bb] FW: MRC Molecular and Cellular Medicine Board; Board Member Vacancy

2022-09-05 Thread Martyn Winn - STFC UKRI
Hi all. I'm forwarding this announcement on behalf of Robert Deller at the MRC: As you may be aware, MRC conducts an annual recruitment exercise to fill vacancies across its boards and panels. https://www.ukri.org/about-us/work-for-us/join-an-advisory-committee-panel-or-network/mrc-board-and-pa

Re: [ccp4bb] help for motion correction

2022-07-16 Thread Martyn Winn - STFC UKRI
Might be better posted to cc...@jiscmail.ac.uk m -Original Message- From: CCP4 bulletin board On Behalf Of Jing Sent: 16 July 2022 20:56 To: ccp4bb Subject: [ccp4bb] help for motion correction Hello All, I have a question about gain reference file. When I try to work on Motion Cor

Re: [ccp4bb] Help with One dimensional electron density calculation

2022-07-14 Thread Martyn Winn - STFC UKRI
Hi, It’s not clear why you don’t use MAPMAN if that does what you want. If availability is the problem, it is still here https://github.com/martynwinn/Uppsala-Software-Factory If you are prepared to do some Python, then 2 other options: https://mrcfile.readthedocs.io/en/latest/readme.html all

[ccp4bb] abstract deadline for ECM33 now 31st May

2022-05-23 Thread Martyn Winn - STFC UKRI
Hi all, A heads-up that the deadline for abstract submissions has been extended until the end of the month (31st May), see https://www.ecm33.fr/ and https://hopscotch.key4events.com/abstract.aspx?e=281 I'm chairing MS1 on "MX/Cryo-EM software development" and would very much like to have a goo

[ccp4bb] MRC Biophysics and Biosimulation Community Engagement Event

2022-05-13 Thread Martyn Winn - STFC UKRI
[Posted on behalf of Robert Deller UKRI-MRC] The MRC Data Science Strategic Advisory Group and BBSRC Transformative Technologies Strategy Advisory Panel have founded a task force to better understand the computing needs, including the associated training/skills, software and services, of the r