andstraße 1, D-85764
> Neuherberg, https://www.helmholtz-munich.de Geschäftsführung: Prof. Dr. med.
> Dr. h.c. Matthias H. Tschöp, Dr. Michael Frieser | Aufsichtsratsvorsitzende:
> MinDir’in Prof. Dr. Veronika von Messling
> Registergericht: Amtsgericht München HRB 6466 | USt-IdN
t two reviewers think they do not look alike.
I was hoping for a CC that gives a number to the looks (ideally a
number > 60% ;-))
Best wishes,
Tim
--
Tim Gruene
Head of the CF Crystal Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-70202
GPG Key ID =
is still bigger than Kay's 19.1 - make sense to me ;-)
Cheers,
Tim
--
--
Tim Gruene
Head of the Core Facility Crystal Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-70202
https://ccsa.univie.ac.at
GPG Key ID = A46BEE1A
##
o phenixbb-le...@phenix-online.org
> Unsubscribe: phenixbb-leave@%(host_name)s
--
--
Tim Gruene
Head of the Core Facility Crystal Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-70202
https://ccsa.univie.ac.at
GPG Key ID = A46BEE1A
Crystallography
Department of Structure Analysis
Institute of Physics of the CAS
Na Slovance 2
182 21 Prague 8
Czechia
--
--
Tim Gruene
Head of the Core Facility Crystal Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-70202
https://ccsa.univie.ac.at
GPG Key ID = A46BEE1A
y 10, 2024 9:43 AM
> To: CCP4BB@JISCMAIL.AC.UK
> Subject: Re: [ccp4bb] message yesterday on the CCP4BB
>
> Hi
>
> Pandora's box comes to mind...
It's called 'internet'
Cheers,
Tim
--
--
Tim Gruene
Head of the Core Facility Crystal Structure Analysis
Facu
mail.ac.uk, terms & conditions are
> available at https://www.jiscmail.ac.uk/policyandsecurity/
--
Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-70202
GPG Key ID = A46BEE1A
lick the following link:
> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1
>
> This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a
> mailing list hosted by www.jiscmail.ac.uk, terms & conditions are
> available at https://www.jiscmail.ac.uk/p
that I know) on small molecule
> diffraction data. And using the small molecule coordinate files
> transformed to a suitable format. I don't know if this is feasible or
> even advised. Probably not.
>
> Thanks,
>
> Fred.
>
--
--
Tim Gruene
Head of the Centre for
#
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Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-70202
GPG Key ID = A46BE
2
months, following the calendar, including 1 month holidays
Cheers,
Tim
--
--
Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-70202
GPG Key ID = A46BEE1A
##
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>
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--
--
Tim Gruene
aim at starting the project in autumn this year, but are flexible by
a few months.
We look forward to ambitious applicants for an exciting project.
Best regards,
Tim Gruene
P.S.: yes, this is the same position as posted August 7th, with the
updated link to the job portal of the University of
applicants for an exciting project.
Best regards,
Tim Gruene
sent to the Bruker mailing list and the CCP4BB
--
--
Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-70202
GPG Key ID = A46BEE1A
ly, I am not comfortable with this, but maybe I am a dinosaur?
>
> Graeme
>
> [...]
> [...]
> [...]
>
>
--
--
Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-70202
GPG Key ID = A46BEE1A
###
230228695.pdf
>
> Patent for use of electron diffraction to assess ligand binding
>
> Stumbled across this because the patent application cites my work -
> felt that this would be of interest to the community
>
> … discuss?
>
> Graeme
>
>
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--
Tim Gruene
st, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1
>
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>
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--
-post.
--
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Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-70202
GPG Key ID = A46BEE1A
To unsubscribe from the CCP4BB list, click the following link:
Hi Frank,
in line with Paul's comment, what is so apparent about openbabel not
doing the job? I use it frequently to generate the input from PDB to the
Grade-Server.
Cheers,
Tim
On Fri, 19 May 2023 10:28:32 +0100 Frank von Delft
wrote:
> OpenBabel apparently does not.
--
--
Tim Gru
ginal R-free set
> > to make final Rfree value comparable?
> >
> > Best regards,
> >
> > Qixu Cai
> > Email: caiq...@gmail.com
> >
> >
> > --
> >
> > To unsubscribe from the CCP4BB list,
6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&sdata=lPCCK274is8BSjU5Hl5qTY6wODAdprb5VepQ%2F%2FLJTUA%3D&reserved=0
> >
> > >
> > >
> >
> >
>
>
>
> To unsubscribe from the CCP4B
following link:
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>
> This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a
> mailing list hosted by www.jiscmail.ac.uk, terms & conditions are
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h more
> sophisticated is taking place, like a signal on a CAN bus or god
> knows what else.
>
> All the best,
>
> Artem
> - Cosmic Cats approve of this message
>
>
> On Fri, Feb 3, 2023 at 2:16 AM Tim Gruene
> wrote:
>
> > Hi Artem,
> >
> >
ote:
>
> > Hi Tim,
> >
> > Not sure if this would work, but can you get a voltage supply and
> > connect it instead of the thermocouple? You would need something to
> > provide a few mV:
> > https://www.thermocoupleinfo.com/type-k-thermocouple.htm
> >
>
. The system show -64C
(probably the limit of the thermocoupe) and I can operate the system
(and mount our new (brand-alien) detector).
Thanks a lot!
Best,
Tim
--
--
Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-70202
GPG K
11:30!").
Cheers,
Tim
On Thu, 12 Jan 2023 06:11:28 +
"Goldman, Adrian" wrote:
> I suspect your institutions are also using office365 outlook (also
> known as crapmail) as mail server
--
--
Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
Univer
> This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a
> mailing list hosted by www.jiscmail.ac.uk, terms & conditions are
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/antwerp-2023/
We are looking forward to seeing you in Belgium.
Please circulate this information among your colleagues.
Best regards,
Tim
--
--
Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-70202
GPG Key ID = A46BEE1A
re has a missing domain and I am trying to figure
> out the best way to model this missing domain using the solved
> (modeled) fixed core domain? My data is also imperfectly twinned,
> with 4 twin fractions according to refmac5.
>
> Any help/ idea is appreciated!
>
>
>
check
again for R/Rfree.
Best regards,
Tim
On Mon, 24 Oct 2022 09:43:19 +0800
"Xu, Shenyuan" wrote:
> Inspecting the electron
> density map shows that the model does not fit the electron density
> well.
--
--
Tim Gruene
Head of the Centre for X-ray Structure Analy
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question is: would you do it? Would you upload your
> >>>> application into the public domain for all to see? What about
> >>>> the reviewer comments?
> >>>> If not, why not? Afraid people will steal your ideas? Well, once
> >>>> something is p
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> mailing list hosted by www.jiscmail.ac.uk, terms & conditions are
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--
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Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
U
d or it finds a .fin
> file. Is there a way to limit its CPU and MEM usage? I am running
> this on a large cluster along with other jobs and don't want to get
> myself into trouble.
>
> Thanks so much!
>
> Best,
> Jessica
>
--
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Tim Gruene
Head of the Centre
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Head of the Centre f
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Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
Uni
niversität
> Hamburg Luruper Chaussee 149 / Bldg. 610 (HARBOR) | 22761 Hamburg |
> Germany Tel. +49 (0)40 42838 3651
> www.thorn-lab.de<http://www.thorn-lab.de> | www.insidecorona.net
>
>
>
>
>
p;A=1
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Head of the Centre for X-ray Structure Analysis
Facult
gt;
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University of Vienna
Phone: +43-1-4277-70202
GPG Key ID =
9 Berlin
> Germany
>
>
>
> Helmholtz-Zentrum Berlin für Materialien und Energie GmbH
>
> Mitglied der Hermann von Helmholtz-Gemeinschaft Deutscher
> Forschungszentren e.V.
>
> Aufsichtsrat: Vorsitzender Dr. Volkmar Dietz, stv. Vo
following link:
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> ########
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>
s by those returned by the PRODRG run. Always with the
> same cryptic error message provided by the software (oops, app).
>
> Thanks,
>
> Fred.
>
--
--
Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-7
ted by www.jiscmail.ac.uk, terms & conditions are
> available at https://www.jiscmail.ac.uk/policyandsecurity/
--
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Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-70202
GPG Key ID = A46BEE1A
##
Hello erveryone,
does anyone know whether Maniatis/Fritsch/Sambrock "Molecular Cloning"
are still being printed and sold? I could not find it by ISBN
(0‐87969‐309‐6) at my favourite book store.
Or is there anything comparable?
Best regards,
Tim
--
--
Tim Gruene
Head of the Centre
#
>
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>
> This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a
> mailing list hosted by www.jiscmail.ac.uk, terms & conditi
other parts of the world where economic growth is the
> > real life saver. Does the prolonging of a reasonably measurable
> > number well-lived lives in the West outweigh the extinguishing of a
> > hard-to-assess number of much younger lives in the rest of the
> > world? I&#
scribe from the CCP4BB list, click the following link:
> >>> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1
> >>>
> >>
> >> ------
> >>
> >> To unsubscribe from the CCP4BB list, click the follow
really know enough to manipulate A, B, C yet?
>
> Or maybe it's too scary for primetime...nightmare bio-warfare
> apocalypse?
>
> Has this sort of thing been done, or does it have a name?
>
> Jacob
--
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Head of the Centre for X-ray Structure Ana
CCP4BB&A=1
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--
urce Ltd. cannot guarantee that this e-mail or any
> > attachments are free from viruses and we cannot accept liability
> > for any damage which you may sustain as a result of software
> > viruses which may be transmitted in or with the message.
> > Diamond Light Source Limited (comp
>
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be from the CCP4BB list, click the following link:
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> available at h
the registration at the
workshop URL
https://www.uni-ulm.de/en/einrichtungen/hrem/christmas-elec-crystall/christmas-elec-crystall/
The workshop program will soon be available.
Best regards,
TG on behalf of Tatiana Gorelik, Mauro Gemmi, Lukas Palatinus, and
Stephanie Kodjikian
--
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Tim Gruene
.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1
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for this
> > application, I would be happy to hear!
> >
> > If any additional clarification is need, I'll fill it in!
> >
> > Best,
> > Kamil
> >
> >
&g
> Nika
>
>
>
>
>
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e following link:
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>
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>
>
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ty tool provides that info. Any idea?
>
> Many thanks!
>
> Best wishes
>
> Joana Pereira
>
--
--
Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna
Phon
equivalent script in CCP4 7.1?
>
>
>
> Thanks,
>
> Jan
>
--
--
Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-70202
GPG Key ID = A46BEE1A
###
t looks too high for this small
> object and very high resolution, in my opinion.
>
> Best regards,
>
> Rafal
>
>
>
> To unsubscribe
r is it something that in theory
> can be done, but only difficult in practice?
>
> Best,
> Herman
>
>
>
> -Ursprüngliche Nachricht-
> Von: Tim Gruene
> Gesendet: Montag, 20. Juli 2020 11:03
> An: CCP4 bulletin board ; Schreuder, Herman
> /DE Betreff:
I took
the liberty to adjust the subject.
--
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Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-70202
GPG Key ID = A46BEE1A
To unsubscribe from the C
fferent cell parameters) then refine cell again. Please also
> > note that if you are refining cell parameters then the resolution
> > of the data will also change (if you are refining all six
> > parameters then changes will be anisotropic)
> >
> >
> > In gene
romathematical curiosity: let "z" be the
> > > radius and "a" the thickness of a pizza. Then the volume
> > >of that pizza is equal to pi*z*z*a !
> > > **
> > >
> > >
-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1
>
>
>
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sage was issued to members of www.jiscmail.ac.uk/CCP4BB, a
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Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
Uni
iozentrum.uni-wuerzburg.de
> phone : +49 0931 31 84031
> -
>
>
>
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__
> François Hoh
>
> Centre de Biochimie Structurale,
> UMR 5048 CNRS, UMR 1054 INSERM
> 29, rue de navacelles
> 34090 Montpellier Cedex, France.
> Phone: +33 467 417 706
> Fax: +33 467 417 913
> _
###
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lowing link:
> > https://eur03.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2Fwebadmin%3FSUBED1%3DCCP4BB%26A%3D1&data=02%7C01%7Cpr159%40leicester.ac.uk%7Cf8cc2fb23bb84707d7a708d7f2a96338%7Caebecd6a31d44b0195ce
encountered a keyboard that suffered from having
> >> the writing removed with that or 100% ethanol. Both work and as
> >> long as they are 100% (no water), the keyboard and mouse have no
> >> issues.
> >>
> >>
> >> Diana
> >>
> >
But maybe there are other ways that won't require gloves?
Best regards,
Tim
--
--
Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-70202
GPG Key ID
h to superpose (two protein:dsDNA
> complexes). Not using the protein part, but superposition through the
> dsDNA.
>
> I'm not quite certain what is the "best" way of doing this.
>
> Your suggestions will be appreciated, thanks.
>
> Fred. Vellieux
>
-
gt; +43 676 571 0536
>
> --
>
> Many plausible ideas vanish
>
> at the presence of thought
>
> --
>
>
>
>
> #######
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Ti
*
> Little known gastromathematical curiosity: let "z" be the
> radius and "a" the thickness of a pizza. Then the volume
> of that pizza is equal to pi*z*z*a !
> ******
>
>
>
> To unsubscribe from the CCP4BB
Dear all,
the arpnavigator can display the contour levels of a map ("map style plane").
Does anyone know how to change the orientation of the plane, i.e. the normal
of the cutting plane?
Best regards,
Tim
--
--
Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of
t;
>
> *Refinement Parameters*
> [image: image.png]
>
> So like nothing looks satisfying I decided to ask my questions here...
>
> What do you recommend to fix my problem, which is a too large difference
> between R and Rfree?
>
> Thank you for a
if the hydrogens were there for refinement,
> >> then it’s only fair that they be present in the deposited structure so
> >> that downstream users know what went into generating the reported
> >> statistics) to the practical (if the paper’s conclusions don’t rely on
carefully and consider possible
> querying to the sender before copying, disclosing or distributing it. If
> you have received this email by mistake, please notify the sender and
> delete it immediately.
>
> ########
>
v paper and references
> therein (https://www.biorxiv.org/content/10.1101/224402v1) and check my
> #WhyOWhy tweets (@marin_van_heel). See also: van Heel - Unveiling ribosomal
> structures: the final phases - Current opinion in structural biology 10
> (2000) 259-264.
>
> Cheers,
> Mar
> different non-zero PART number are excluded; this is suitable for a
> solvent molecule disordered on a special position of higher symmetry
> than the molecule can take".
>
> I use PART 1/PART 2/PART 0 all the time in "small molecule world" but
> I've used PART -1
The scattering factor is derived from the
> number next to the name." Once I adjusted the numbers in the second column
> of my inhibitors to match the DISP list numbering, Rfree dropped to 16.96%
> and the map looks notably better (see attached snap shot).
>
>
> Again, thank yo
;
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>
> ___
t correctly?
>
>
>
>
>
> Thank you very much for your help!
>
> Best, matthias
>
>
>
>
>
>
>
>
>
>
>
>
> Dr. Matthias Barone
>
> AG Kuehne, Rational Drug Design
>
>
> Leibniz-Forschungsinstitut für Molekulare P
than the
> classic PCT from Hampton? Armando
>
>
>
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Tim Grue
unsubscribe from the CCP4BB list, click the following link:
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--
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Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-70202
GPG Key ID = A46BEE1A
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