regards,
Xin
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ystal based on
> its unit cell and space group? Sorry if this is a noob question!
>
> ---
>
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import into Blender?
Also, is it possible to predict the final shape of a protein crystal based
on its unit cell and space group? Sorry if this is a noob question!
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Address:
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are looking forward to in depth discussions.
Note that since we are restricted to a total of 70 participants, early
registration is recommended!
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similar chemistry from other sources.
Thank you for your insights.
Markus Seeliger
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Física "Blas Cabrera"
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Serrano 119, 28006 Madrid, Spain
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EUbOPEN projects
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maxiv.lu.se> (CoSAXS)
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ho
working at a synchrotron.
Cher André you will be missed.
Ralf
From: CCP4 bulletin board on behalf of Nukri Sanishvili
Date: Friday, 24 January 2025 at 20:44
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] André Mitschler
Dear All,
I read the announcement of André’s passing with great sadness
; | bluesky
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ystal diffraction techniques (data collection, data
reduction/structural refinement) and knowledge of programming languages, such
as Python, would be desirable.
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i Kabasakal
*Sent:* 10 February 2025 11:40
*To:* CCP4BB@JISCMAIL.AC.UK
*Subject:* Re: [ccp4bb] CCP4 Cloud structure determination help
Hi Marco, I would try MR with the N-terminal domain only separately,
or the domains that fit well in one single chain, and the N-terminal
domain other chain and
Burak Veli
Kabasakal
Sent: 10 February 2025 11:40
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] CCP4 Cloud structure determination help
Hi Marco, I would try MR with the N-terminal domain only separately, or the
domains that fit well in one single chain, and the N-terminal domain other
chain
laced coordinates to try to get
> a better solution. Also I do not necessarily require to use exclusively
> ccp4 cloud I just appreciate its cloud based speed.
>
> Thank!
>
> Marco
>
> ########
>
>
iate its cloud based speed.
>
> Thank!
>
> Marco
>
> ########
>
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. Interested? Apply here:
https://www.psi.ch/en/hr/job-opportunities/68528-postdoctoral-fellow
Best regards,
Jinghui Luo
https://www.psi.ch/en/lmb/people/jinghui-luo
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use exclusively ccp4 cloud I just appreciate its
cloud based speed.
Thank!
Marco
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through the link above.
Informal inquiries can be sent to marco.mar...@icm.uu.se
Best regards
Marco
--
Dr. Marco MARCIA
Associate Professor, Uppsala University
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opportunity.
Thank youSmita
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w3UxqvqbRxNH_17ntKr-Gd0>
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partment of Chemistry
University of Warsaw
ul. Zwirki i Wigury 101
02-089 Warszawa, Poland
Room: 3.125
E-mail:pdo...@chem.uw.edu.pl
Phone: (48) 22 55 26 714
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out this year's meeting go to:
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Hope to see you there.
Best,
Ed
From: Ed Eng
Sent: Wednesday, January 22, 2025 10:49 PM
To: 3...@ncmir.ucsd.edu <3...@ncmir.ucsd.edu>; cc...@jiscmail.ac.uk
; ccp4bb@jiscmail.ac.uk
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nia, Merced
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ent of a PEG chain? Any
> ideas?!
> >
> > Thanks, and best wishes,
> > Chris
> >
> > waters_1.5sigma_a.pngwaters_1.5sigma_b.png
> >
> > ----
> >
> > To unsubscribe fr
logo
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>
> waters_1.5sigma_a.pngwaters_1.5sigma_b.png
>
> ----
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Hi Eleanor,
Thinking about this you are most likely correct that COOT has created this
issue. The coordinates were in PDB format.
Best wishes,
Joanna
From: Eleanor Dodson
Sent: 03 February 2025 15:17
To: Joanna Zukowska
Cc: CCP4BB@jiscmail.ac.uk
Subject: Re
oanna
> --
> *From:* Eleanor Dodson
> *Sent:* 03 February 2025 14:50
> *To:* Joanna Zukowska
> *Cc:* CCP4BB@jiscmail.ac.uk
> *Subject:* Re: [ccp4bb] Bonds Breaking After Refinement
>
> You don't often get email from eleanor.dod...@york.ac.u
s to "ATOM" from "HETATM".
All the best,
Joanna
From: Eleanor Dodson
Sent: 03 February 2025 14:50
To: Joanna Zukowska
Cc: CCP4BB@jiscmail.ac.uk
Subject: Re: [ccp4bb] Bonds Breaking After Refinement
You don't often get email from eleanor.d
bulletin board on behalf of Eleanor Dodson
<176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk>
Date: Monday, February 3, 2025 at 8:52 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Bonds Breaking After Refinement
Could you send the rogue coordinate file or is it confidential? it might
p
Yamashita <eb4171b56fc1-dmarc-requ...@jiscmail.ac.uk>
> *Sent:* 03 February 2025 12:55
> *To:* CCP4BB@JISCMAIL.AC.UK
> *Subject:* Re: [ccp4bb] Bonds Breaking After Refinement
>
> [You don't often get email from
> eb4171b56fc1-dmarc-requ...@jiscmail.ac.uk. Learn why
Yamashita <eb4171b56fc1-dmarc-requ...@jiscmail.ac.uk>
Sent: 03 February 2025 12:55
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Bonds Breaking After Refinement
[You don't often get email from eb4171b56fc1-dmarc-requ...@jiscmail.ac.uk.
Learn why this is important at htt
here might be an unnecessary TER card in your PDB file between
> >> residues 430 and 431 of chain A. Could you check that? The log file
> >> suggests that residues after 430 are being recognised as a non-polymer
> >> part.
> >>
> >> Best regards,
>
t;> part.
>>
>> Best regards,
>> Keitaro
>>
>> On Mon, 3 Feb 2025 at 20:12, Joanna Zukowska
>> <000100b050ebf83d-dmarc-requ...@jiscmail.ac.uk> wrote:
>> >
>> > Good morning Eleanor,
>> >
>> > Thank you for your r
he log file. As far as I
> am aware we are not requesting unrestrained refinement.
> >
> > Best wishes,
> > Joanna
> > ____
> > From: Eleanor Dodson
> > Sent: 03 February 2025 10:47
> > To: Joanna Zukowska
> > Cc: CCP4BB@jiscma
__
> From: Eleanor Dodson
> Sent: 03 February 2025 10:47
> To: Joanna Zukowska
> Cc: CCP4BB@jiscmail.ac.uk
> Subject: Re: [ccp4bb] Bonds Breaking After Refinement
>
> You don't often get email from eleanor.dod...@york.ac.uk. Learn why this is
> important
>
> CA
Centre for Biomolecular Research
Faculty of Science
Utrecht University
Universiteitsweg 99
3584 CG Utrecht
The Netherlands
Tel. [+31] 06-22735980
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ot help.
>
> Best wishes,
> Joanna
>
>
>
> --
>
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another round of refinement? is this
possible? I can upload the model back into the cloud but cannot specify it to
be used in refmac.
Thanks!
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.uk/research/labs/xiaodong-zhang
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#####
straightforward, hassle-free guide to
installing XDSGUI for routine x-ray data processing.
Thanks
Firdous
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eter Smyth
Postdoc scientist, SEC Group
European XFEL
-Original Message-
From: Pawel
To: CCP4BB
Date: Friday, 31 January 2025 11:46 CET
Subject: [ccp4bb] Structure deposition problems with OneDep System
Good morning, Has anyone had recently problems with starting structure
.demokritos.gr
-Original Message-
From: syed <048c02cac012-dmarc-requ...@jiscmail.ac.uk>
To: CCP4BB
Date: Friday, 31 January 2025 8:59 AM EET
Subject: [ccp4bb] Could Pottasium sodium tartarate diffract?
Hi All
I have a protein crystal (thin plate crystal) diffracted to h
gt; > Meanwhile, I still want to ask how to reduce the RSRZ outliers in the
> wwPDB validation report, is there any good way to reduce the RSRZ outliers
> >
> > in the WWPDB Validation report? I enclose my alidation report.
> >
> > ###
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--
---
Deborah Harrus, Ph.D.
PD
555
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esolution. So I doubt whether the diffraction is from
protein or from Pottasium sodium tartarate.
Any suggestions,
Thanks
Syed
-
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Dr.
raction is from protein
> or from Pottasium sodium tartarate.
>
> Any suggestions,
>
> Thanks
>
> Syed
>
>
> --
>
> To unsubscribe from the CCP4BB list, click the following lin
idation report? I enclose my alidation report.
>
> ########
>
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at paired refinement to see if your data needs truncating a
little, I think it can be run easily through PDB REDO.
Best wishes
Matthew.
From: CCP4 bulletin board on behalf of Pavel Afonine
Sent: 29 January 2025 16:18
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re
enclose my alidation report.
>
>
> ------
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To unsubs
outliers
in the WWPDB Validation report? I enclose my alidation report.
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This message
28. Feb. 2025 using the
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urce II
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rther information, don’t hesitate to
contact us.
Best regards,
Pamela.
**
Dr. Pamela Ornelas
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Max Planck Institute of Biophysics
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To uns
pabilities
and pointers for those developing methods to areas that would be particularly
impactful at GSK.
Best wishes,
Sarah
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Phenix Consortium: Ashley Dawn [ ashleyd...@lbl.gov ][ 1-510-486-5455 ]
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Hello
I hope this email finds you well.
Thanks for this announcement "[ccp4bb] Computational course Structural
analysis of biomolecules utilizing CCP4 and CCPEM, 18-20 March 2025, Nove
Hrady, Czech Republic".
Is it possible to participate in this event remotely without any charge? I
d
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hoste
ttings properly. Thank you in advance for your help!
> Best regards,
> Xin
>
>
> --
>
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you in advance for your help!
Best regards,
Xin
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This effort culminated in 2008 with the publication of an unexpected
> enzymatic mechanism.
>
>
>
> In 1999, André was awarded the CNRS Crystal Medal in recognition of his
> contributions to experimental crystallography.
>
>
>
> André was also a military history enthusiast a
1999, André was awarded the CNRS Crystal Medal in recognition of his
> contributions to experimental crystallography.
>
> André was also a military history enthusiast and pursued a parallel career in
> the army, rising to the rank of colonel in the cavalry.
>
> His passion
or young researchers.
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urce II
Building 745
Brookhaven National Laboratory
Upton NY 11973
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backgrounds and abilities
of everyone.
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Drug Discovery | Charles River
Chesterford Research Park, CB10 1XL, United Kingdom
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This me
(data collection, data
reduction/structural refinement) and knowledge of programming languages, such
as Python, would be desirable.
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