e
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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 u
following link:
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ecule
> 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.
>
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Tim Gruene
Head of the Centre for X-ray Structure Analysis
Facul
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#
hs, following the calendar, including 1 month holidays
Cheers,
Tim
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Tim Gruene
Head of the Centre for X-ray Structure Analysis
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University of Vienna
Phone: +43-1-4277-70202
GPG Key ID = A46BEE1A
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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
applicants for an exciting project.
Best regards,
Tim Gruene
sent to the Bruker mailing list and the CCP4BB
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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
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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.
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Phone: +43-1-4277-70202
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To unsubscribe from the CCP4BB list, click the following link:
https
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 Gruene
H
> > to make final Rfree value comparable?
> >
> > Best regards,
> >
> > Qixu Cai
> > Email: caiq...@gmail.com
> >
> >
> > --
> >
> > To unsubscribe from the CCP4BB list, click the followin
rb5VepQ%2F%2FLJTUA%3D=0
> >
> > >
> > >
> >
> >
>
> ########
>
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gt; 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,
> >
> > the s
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
> >
> >
> > Ivan
. 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
--
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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
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
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Tim Gruene
Head of the Centre for X-ray Structure Analysis
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Univer
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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!
>
>
&
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.
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Head of the Centre for X-ray Structure Analysis
F
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ad 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 public, its pretty clear who got the i
t; mailing list hosted by www.jiscmail.ac.uk, terms & conditions are
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Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University
t 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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University of
ics, Universität
> 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
>
>
> ##
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; Helmholtz-Zentrum Berlin für Materialien und Energie GmbH
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> Mitglied der Hermann von Helmholtz-Gemeinschaft Deutscher
> Forschungszentren e.V.
>
> Aufsichtsrat: Vorsitzender Dr. Volkmar Dietz, stv. Vorsitzende Dr.
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returned by the PRODRG run. Always with the
> same cryptic error message provided by the software (oops, app).
>
> Thanks,
>
> Fred.
>
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Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-70202
gt;
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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
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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'm glad I don't have to make tha
the following link:
> >>> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1
> >>>
> >>
> >> --
> >>
> >> To unsubscribe from the CCP4BB list, click the following link:
> >> https://www.jisc
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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; 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
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to 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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application, I would be happy to hear!
> >
> > If any additional clarification is need, I'll fill it in!
> >
> > Best,
> > Kamil
> >
> >
> >
> > To unsubscr
Nika
>
>
>
>
>
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probity tool provides that info. Any idea?
>
> Many thanks!
>
> Best wishes
>
> Joana Pereira
>
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Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna
Phon
alent script in CCP4 7.1?
>
>
>
> Thanks,
>
> Jan
>
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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 = A46BEE1A
too high for this small
> object and very high resolution, in my opinion.
>
> Best regards,
>
> Rafal
>
>
>
> To unsubscribe from th
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: [EXTERNAL] chirality wit
the liberty to adjust the subject.
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University of Vienna
Phone: +43-1-4277-70202
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To unsubscribe from the CCP4BB list
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
; > radius and "a" the thickness of a pizza. Then the volume
> > >of that pizza is equal to pi*z*z*a !
> > > **
> > >
> > > ##
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Univers
rançois 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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hat 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
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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
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
>
--
--
T
6 571 0536
>
> --
>
> Many plausible ideas vanish
>
> at the presence of thought
>
> --
>
>
>
>
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stromathematical 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 list, click the following link:
> https
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
0.1948
> 0.2880
>
> 0.0076
>
> 1.6308
>
> 0.1176
>
>
>
> *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 answ
r 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
> >> any arguments based
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.
>
> ####
>
&
d 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,
> Marin
>
ifferent 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 precisely o
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 you very much for
ribe from the CCP4BB list, click the following link:
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>
>
>
> To unsubscribe from the CCP4BB list, click the following link:
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>
>
>
>
> To
ss it correctly?
>
>
>
>
>
> Thank you very much for your help!
>
> Best, matthias
>
>
>
>
>
>
>
>
>
>
>
>
> Dr. Matthias Barone
>
> AG Kuehne, Rational Drug Design
>
>
> Leibniz-Forschungsinstitut für Molekulare Pharmakologie (F
ther than the
> classic PCT from Hampton? Armando
>
>
>
> To unsubscribe from the CCP4BB list, click the following link:
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--
--
Tim Gruene
Head of the
scribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
--
--
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
##
iously).
>
> Note that -rpath is not the same as -L: -L is used at link-time to find
> the libraries needed to check that all the symbols are resolvable.
> -rpath is used to locate shared libraries at run-time: its argument
> doesn't even have to exist at link-time. If you go down this
tria
> >
> > +43 (676) 571-0536
> >
> > bernhard.r...@i-med.ac.at
> >
> > --
> > --
> >
> > k.k. Hofkristallamt
> >
> > San Diego, CA 92084
> >
> > 001 (925) 209-7429
> >
##
>
> To unsubscribe from the CCP4BB list, click the following link:
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--
--
Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna
atform.
>
>
>
> I did not debug this new feature very thoroughly, but it worked for me so
> far.
>
> Any bug reports are welcome to this address
> tim.gru...@univie.ac.at<mailto:tim.gru...@univie.ac.at>
>
>
>
> I hope this is helpful for one or two users.
ay be confidential or protected from disclosure and is
> only for review and use by the intended recipient. Access by anyone else is
> unauthorized. Any unauthorized reader is hereby notified that any review,
> use, dissemination, disclosure or copying of this information, or any act
> or omiss
, of SAINT, and of the SFRM
header format.
Kind regards,
Tim
cc Bruker mailing list, CCP4BB, phenixBB
--
--
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
;
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1
--
--
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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