[ccp4bb] Postdoctoral Researcher for SSX-driven fragment screening at MicroMAX (MAX IV)

[Tobias Krojer]

Dear all,

We are looking for a postdoctoral researcher for a two-year position dedicated 
to advancing serial crystallography fragment screening at our brand-new 
MicroMAX beamline. This role offers a unique collaboration with the FragMAX 
team to seamlessly integrate cutting-edge methods into routine use at our 
facility. The successful candidate will be supported by the MX group's 
extensive and varied expertise. Additionally, the position entails frequent 
exchanges with scientists from DESY, the University of Hamburg, and the 
University of Gothenburg. This is an exceptional opportunity for a creative and 
driven scientist eager to rethink the application of X-ray crystallography in 
structure-based drug discovery.
You can find more information about the position and instructions about how to 
apply here:
https://lu.varbi.com/en/what:job/jobID:717582
The application deadline is Sunday, 05. May 2024.
Please feel free to contact Thomas Ursby 
(thomas.ur...@maxiv.lu.se<mailto:thomas.ur...@maxiv.lu.se>) or me 
(tobias.kro...@maxiv.lu.se<mailto:tobias.kro...@maxiv.lu.se>) if you have any 
questions about the position.
Best,
Tobias


--

[signature_915632486]

Dr. Tobias Krojer
FragMAX Team Leader

MAX IV Laboratory
Lund University
P.O.Box 118, SE-221 00 Lund, Sweden
Visiting address: Fotongatan 2, 22484 Lund
tobias.kro...@maxiv.lu.se<mailto:tobias.kro...@maxiv.lu.se>
Mobile: +46 79 066 0189
Phone: +46 46 2226779
www.maxiv.se





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Re: [ccp4bb] problems with pandda.inspect / coot

[Tobias Krojer]

Hi Ruth,

I can’t help you with pandda.inspect, but I wrote a plugin for COOT which is 
kind of a lightweight version of it: You can download it here:
https://github.com/tkrojer/pandda_inspect_tools

Let me know in case you have problems with it.

Best,
Tobias

From: CCP4 bulletin board  on behalf of Ruth Brenk 

Date: Thursday, 15 February 2024 at 17:50
To: CCP4BB@JISCMAIL.AC.UK 
Subject: [ccp4bb] problems with pandda.inspect / coot
Hi,

I am trying to run Pandda. I could run pandda.analyse on the provided
dataset for the tutorial without any issues.

But I don't manage to run pandda.inspect. Coot opens, but I don't get
the Pandda interface. The last message I get from coot is:
/scratch/software/ccp4-8.0/coot_py2/libexec/coot-bin: option `--script'
requires an argument

Any ideas what's going wrong?

Ruth

--
Prof. Dr. Ruth Brenk
University of Bergen
Department of Biomedicine

ruth.br...@uib.no
+47 55586070


Visitor address: Mail address:
Jonas Lies vei 91Postboks 7804
5020 Bergen  5020 Bergen
Norway   Norway



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[ccp4bb] Reminder - Research engineer position at FragMAX, MAX IV

[Tobias Krojer]

Dear all,

This is a reminder about an open Research Engineer position at the FragMAX 
fragment screening facility at MAX IV Laboratory (Lund, Sweden).
The application deadline is February 13th 2024.
You can find more information about the position and instructions about how to 
apply here:
https://lu.varbi.com/en/what:job/jobID:692767
Please feel free to contact me if you have any questions.
Best,
Tobias


--

[signature_915632486]

Dr. Tobias Krojer
FragMAX Team Leader

MAX IV Laboratory
Lund University
P.O.Box 118, SE-221 00 Lund, Sweden
Visiting address: Fotongatan 2, 22484 Lund
tobias.kro...@maxiv.lu.se<mailto:tobias.kro...@maxiv.lu.se>
Mobile: +46 79 066 0189
Phone: +46 46 2226779
www.maxiv.se





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[ccp4bb] Research engineer position at FragMAX, MAX IV

[Tobias Krojer]

Dear all,

We are looking for a Research Engineer for the FragMAX fragment screening 
facility at MAX IV Laboratory (Lund, Sweden) to support our growing academic 
and industrial user program. FragMAX is part of the macromolecular 
crystallography (MX) group, which operates the BioMAX and MicroMAX beamlines. 
This is a permanent position with exciting opportunities for a hands-on 
crystallographer who enjoys enabling novel science and seeks a long-term 
perspective.
You can find more information about the position and instructions about how to 
apply here:
https://lu.varbi.com/en/what:job/jobID:692767
The application deadline is February 13th 2024.
Please feel free to contact me if you have any questions.
Best,
Tobias


--

[signature_915632486]

Dr. Tobias Krojer
FragMAX Team Leader

MAX IV Laboratory
Lund University
P.O.Box 118, SE-221 00 Lund, Sweden
Visiting address: Fotongatan 2, 22484 Lund
tobias.kro...@maxiv.lu.se<mailto:tobias.kro...@maxiv.lu.se>
Mobile: +46 79 066 0189
Phone: +46 46 2226779
www.maxiv.se





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Re: [ccp4bb] Coot and Pandda questions

[Tobias Krojer]

Hi Laurent,

I wrote a minimalistic version of pandda.inspect which works with any version 
of ccp4 or operating system. Event maps etc. need to be converted to mtz files 
beforehand, but suitable scripts and documentation are included in the Github 
repository below:

https://github.com/tkrojer/pandda_inspect_tools

Let me know in case you have any problems.

Best,
Tobias


From: CCP4 bulletin board  on behalf of Laurent 

Reply to: Laurent 
Date: Wednesday, 6 April 2022 at 08:05
To: "CCP4BB@JISCMAIL.AC.UK" 
Subject: [ccp4bb] Coot and Pandda questions

Good morning (French time…)

Two unrelated questions…
Using Coot, I would like to define some key binding… How can I find the command 
that is actually issued from an option in the « calculate » menu ? I would like 
to define a key binding for the function « NCS Tools -> Update NCS ghost using 
local match ».

About Pandda… Nick Pearce helped me about my previous request about pandda… I 
am now able to run pandda_analysis, but pandda_inspect still issues an error. I 
would therefore like to install ccp4 7.0 instead of the ccp4 7.1 (Pandda web 
site states that 7.0 should work). Is it possible to find old CCP4 versions to 
download and install (I am working with MacOS)?

Thanks for your help,

Laurent

[Image removed by sender. logo-ipbs]
Laurent Maveyraud
Professor of Biophysics | University of Toulouse | Structural Biophysics Team

Doctoral School Biology - Health - Biotechnologies

[Image removed by sender.]+33 5 61 17 54 35 | +33 6 46 04 21 11 | 
laurent.maveyr...@ipbs.fr | [Image removed by 
sender.] L. Maveyraud | 
[Image removed by sender.] L. Maveyraud

[Image removed by sender.]UMR5089 | CNRS - UT3 | 205 Route de Narbonne BP 64182 
- 31077 Toulouse Cedex 4

[Image removed by sender.]ipbs.fr  | Team Website 
 | pict.ipbs.fr 


[Image removed by sender.]@IpbsToulouse 

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[ccp4bb] FragMAX Webinar (June 17th, 14:00 - 15:00 (CEST))

[Tobias Krojer]

Dear all,

We would like to invite you to a webinar about the FragMAX facility for 
crystallographic fragment screening at MAX IV Laboratory:

June 17th, 14:00 – 15:00 (CEST)

Please register below and you will receive your ZOOM link shortly:
https://indico.maxiv.lu.se/e/FragMAX_webinar

Agenda:

  *   Introduction to crystal-based fragment screening
  *   FragMAX components and design:
 *   Crystal preparation workflow
 *   Data collection at BioMAX
 *   Large-scale data processing (including FragMAXapp demo)
  *   Prerequisites & crystal checklist
  *   Access modes for academia and industry
  *   Current developments

Looking forward to seeing you there!

Best regards,
Tobias


--

[signature_915632486]

Dr. Tobias Krojer
Beamline Scientist & FragMAX Project Manager

MAX IV Laboratory
Lund University
P.O.Box 118, SE-221 00 Lund, Sweden
Visiting address: Fotongatan 2, 22484 Lund
tobias.kro...@maxiv.lu.se<mailto:tobias.kro...@maxiv.lu.se>
Mobile: +46 79 066 0189
Phone: +46 46 2226779
www.maxiv.se





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[ccp4bb] FragMAX postdoc - reminder

[Tobias Krojer]

Dear all,

Here is a quick reminder that the application deadline for an exciting postdoc 
position at MAX IV is coming soon:

FragMAX postdoc - fragment screening (2-year position), deadline January 17
https://lu.varbi.com/en/what:job/jobID:371474

Please feel free to contact me for more information!

Best wishes,
Tobias



--

[signature_528214131]

Dr. Tobias Krojer
Beamline Scientist & FragMAX Project Manager

MAX IV Laboratory
Lund University
P.O.Box 118, SE-221 00 Lund, Sweden
Visiting address: Fotongatan 2, 22484 Lund
tobias.kro...@maxiv.lu.se
www.maxiv.se





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[ccp4bb] Position available: FragMAX postdoc (MAX IV)

[Tobias Krojer]

Dear all,

I would like to draw your attention to a 2-years postdoc position at the
FragMAX facility at MAX IV Laboratory (https://www.maxiv.lu.se)
<https://www.maxiv.lu.se/)>:



*The FragMAX facility provides a user facility for crystallographic
fragment screening at BioMAX, the first operational beamline for
macromolecular crystallography at MAX IV. Our aim is to develop a platform
which enables users with different levels of experience to routinely
achieve actionable screening hits for their targets. *

*We are seeking to appoint a postdoctoral fellow for the FragMAX facility
to further develop its current capabilities. This is an exciting
opportunity for an aspiring post-doctoral fellow to join an international
and interdisciplinary team, which is part of BioMAX and the MX-group. You
will develop innovative screening protocols in order to facilitate and
accelerate fragment elaboration. This will involve conceptual planning of
suitable workflows, as well as testing and implementation of robust
experimental protocols. Moreover, you will help to establish best practice
data collection protocols for protein-ligand screening which make use of
the unique capabilities of BioMAX. You will support users during fragment
screening and other experiments and disseminate feedback in order to
improve the overall performance of the facility. You are expected to work
both independently and in close collaboration with the entire FragMAX and
BioMAX teams, as well as with academic and industrial collaboration
partners. A willingness to challenge existing paradigms and to explore new
avenues would be an asset. *


*Closing date for applications is Sunday January 17th.*



For more information and to apply see:

https://lu.varbi.com/en/what:job/jobID:371474



Best wishes
Tobias Krojer



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[ccp4bb] Senior Postdoctoral Researcher in Artificial Intelligence-led drug discovery

[Tobias Krojer]

Dear all,



the Oxford/Diamond XChem initiative lead by Frank von Delft in partnership with 
the Oxford Protein Informatics group (headed by Professor Charlotte Deane) is 
recruiting for a senior postdoctoral fellow who will have responsibility for 
establishing a research project in Artificial Intelligence-led drug discovery. 
This is an exciting opportunity to develop novel machine learning tools at the 
interface between structural biology, synthetic chemistry and drug discovery.


Details about the position can be found here:

https://www.jobs.ac.uk/job/CAO576/senior-postdoctoral-researcher


Please keep in mind that the deadline for applying is coming soon: only 
applications received before 12.00 midday on 3 August 2020 will be considered.



Best wishes,

Tobias



Dr. Tobias Krojer

Centre for Medicines Discovery

University of Oxford

Old Road Campus Research Building

Roosevelt Drive

Oxford, OX3 7DQ

United Kingdom


T: +44 (0)1865 617576



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[ccp4bb] Postdoctoral position at ODDI & SGC Oxford

[Tobias Krojer]

Dear all,

We have an opportunity for a Postdoctoral Scientist with an interest in protein 
crystallography and fragment-based discovery to join the group of Prof Paul 
Brennan, head of Chemistry at the ARUK Oxford Drug Discovery Institute (ODDI) 
and the Structural Genomics Consortium (SGC). The post will be embedded in 
Frank von Delft's group at the SGC and offers exciting possibilities for an 
enthusiastic scientist who wants to drive novel protein targets involved in 
dementia from gene to compound.

More details can be found 
here<https://www.thesgc.org/careers/oxford/sgc-oxford-post-doctoral-scientist-protein-crystallography-and-fragment-based>
 and the deadline is December 7th.

You can contact me for informal enquiries: 
tobias.kro...@sgc.ox.ac.uk<mailto:tobias.kro...@sgc.ox.ac.uk>

Best,
Tobias


____
Dr. Tobias Krojer
Structural Genomics Consortium
University of Oxford
Old Road Campus Research Building
Roosevelt Drive
Oxford OX3 7DQ
United Kingdom

+44 (0)1865 617576




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[ccp4bb] saint to scala

[Tobias Krojer]

Dear all,

does anyone have experience on how to convert a raw-data file from SAINT into a 
mtz-file, suitable for input into SCALA? I tried combat (saint option), but the 
reflections are apparently already reduced to the asu and I'm not sure if the 
program picked up all the necessary parameters correctly. 

best,
Tobias
 

[ccp4bb] dial box

[Tobias Krojer]

Dear all,

does someone still have a couple of functional dial boxes and wants to sell 
them? I guess one cannot buy them anymore?!

Thanks,
Tobias