Hi,
In fact the problem was solved with the help of Ivica Dilovic from
Zagreb who suggested some changes to the shelxl .ins file. After these
modifications the cryptic error message was still there, but the
modifications made me try to remove one card. That did it.
So the part that is concer
#x27;t remember (the Linux flavour here is
Alma Linux 9, not Debian).
Fred.
On 12/03/2024 10:56, David Waterman wrote:
Hi Fred,
CCP4 distributes the shelxl binary on Linux. I've not checked yet, but
perhaps it is also part of CCP4 on Windows?
Cheers
-- David
On Tue, 12 Mar 2024 at 09:
did your input files
come from?
Cheers
-- David
On Tue, 12 Mar 2024 at 09:01, Fred Vellieux
wrote:
Hi folks,
I have a simple question: is there an electronic bulletin board for
small-molecule crystallography? I have checked the list of CCP
projects
and there is no CCP
Hi folks,
I have a simple question: is there an electronic bulletin board for
small-molecule crystallography? I have checked the list of CCP projects
and there is no CCP-project for small molecule crystallography in the list.
I am trying to run SHELXL, and it fails with the cryptic message "*
Hello,
Overhanging "sticky" ends are mentioned frequently when it comes to
obtaining infinite helices that are useful in crystallization. For
example in
https://home.ccr.cancer.gov/csb/nihxray/Tips-and-Tricks_Crystallization_Protein-DNA_updated.pdf
.
Cheers,
Fred.
On 09/02/2024 10:59, car
nd saved).
Just in case.
Fred.
On 17/01/2024 10:17, Frederic Vellieux wrote:
Dear all,
Perhaps a reader of the bb will have a solution for this problem. ccp4
is version 8.0 and is up to date. All graphics programs (coot, but
also other non-ccp4 software such as chimeraX, Pymol...) run fine on
oorhen.html
(tutorial)
https://moorhen.org/ (the program)
Best wishes,
Stuart
On Wed, 17 Jan 2024 at 09:17, Frederic Vellieux
wrote:
Dear all,
Perhaps a reader of the bb will have a solution for this problem.
ccp4
is version 8.0 and is up to date. All graphics programs (coot, b
Dear all,
Perhaps a reader of the bb will have a solution for this problem. ccp4
is version 8.0 and is up to date. All graphics programs (coot, but also
other non-ccp4 software such as chimeraX, Pymol...) run fine on the
Alma-Linux 9.3 system. There is a problem however with ccp4mg: the
image
From: CCP4 bulletin board on behalf of Fred
Vellieux
Sent: Friday, August 18, 2023 10:43:34 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] CentOS 7 end of life (july 2024)
Hi,
Other people on this BB may run into the same problem.
CentOS 7 end of life is announced to hap
Hi,
Other people on this BB may run into the same problem.
CentOS 7 end of life is announced to happen in July 2024.
I have to migrate my Linux box to another Linux "flavour".
I've had a look at the possibilities:
- migrate to another RHEL (rpm-based) Linux, with "elevate-linux" and
"leapp".
Folks, apologies for the non-CCP4 software question.
I have tried to contact the BIOVIA DiscoveryStudio support team, somehow
my browser does not allow me to open their "contact form".
I am trying to visualize and perform an analysis on a protein:smaller
molecule complex. The smaller molecule
Hello Frank,
We have to convert betwen file formats very frequently (usually several
times daily) and:
1) we didn't need any restraints CIF file for that;
2) the tools we are using are
http://www.cheminfo.org/Chemistry/Cheminformatics/FormatConverter/index.html
https://datascience.unm.edu/tomca
Hello Pavel,
You may want to have a look at PDB structure 6YCR: the macrocyclic
peptide inhibitor is modelled as two conformations. The entire peptide.
HTH,
Fred.
On 8/24/22 00:02, Pavel Afonine wrote:
Dear community,
I’m looking for an example of a crystal structure where a large group
5/31/22 08:12, Fred Vellieux wrote:
Dear bb members,
I am quite certain that someone must have needed to do this already. I
looked at publications but no details were given concerning how
figures were prepared.
So here is the problem:
Given a protein protein interface (with the 3D struc
looking for a method allowing me to identify and display
the interface forming residues of one of the protein components. Plus a
surface representation of that part, for the 3D structure.
Thanks in advance for any tips.
Regards,
Fred. Vellieux
--
MedChem, 1st F. Medicine, Charles University
Hi,
Last time I needed to do this the most convenient for me was to use
Coot, with a very large coordinate file. Coot pre v1 (v0 something) to
read in coordinates in the mmcif format and write out coordinates in the
PDB format.
HTH,
Fred.
On 2022-04-19 14:01, Abhilasha Thakur wrote:
Hello
Hello,
I am posting this summary in case anyone else encounters the same
problem. Replies were received from David A. Case, Morpholino Peligro,
Arunabh Athreya, Tushar R. and Walker Olivier (through Adriana Miele).
The problem: how to get MD runs when you are not a specialist (first
time you
Hi folks,
Sorry about the non-ccp4 question. I don't know where to ask.
I have to perform MD simulations but I am totally on my own here. The
one program that appears to be free (in terms of license) seems to be
CHARMM. GROMACS (testing with the examples found in the internet) did
not work in
Hi folks,
I'm trying to run Ligplot on a PDB file that contains a residue with
type UNL (Unknown Ligand). I hadn't been using LigPlot for perhaps 2
years now (which means that I had to reinstall, with an expired license,
and get familiar with it again). I get the following error message
(rath
Hello there,
After running autodock vina on certain small molecules, the graphics
software I am using (e.g. Pymol, Coot) draws far too many bonds on the
docked small molecule. See enclosed screen capture.
Is there any way to prevent this from happening? This isn't very
satisfactory of you wi
Hi,
In addition to all that's been suggested so far: when I was facing such
problems I always tried the (commercially available) additive screens
(additive kits, whatever they are called nowadays). This means setting
up quite a few crystallisation experiments (you already have conditions
in w
Hello,
I need to perform some MD calculations and then trajectories of some
small molecules analyzed.
What I have is
1. protein
2. cofactor (FAD)
3. small molecule (either single O2 atom or single Chlorine atom)
4. crystallographic waters
The software I can access is either Gromacs (with yum
Thanks to all who replied. Superposition using the nucleid acid part of
complexes can be very informative.
Have a nice day further,
Fred. Vellieux
--
MedChem, 1st F. Medicine, Charles University
BIOCEV, Vestec, Czech Republic
s the "best" way of doing this.
Your suggestions will be appreciated, thanks.
Fred. Vellieux
--
MedChem, 1st F. Medicine, Charles University
BIOCEV, Vestec, Czech Republic
To unsubscribe from the CCP4BB list, clic
Hello,
Follow up concerning my query to the bb (in case anyone is interested),
reply received from Robert Preissner through Philip E. Bourne and Joel
Sussman:
The Superimposé server was stopped in May 2018.
Fred. Vellieux
On 2/28/20 7:47 AM, Fred Vellieux wrote:
*Hello,
I am looking
*Hello,
I am looking for the Superimposé web server (from Charité, Berlin).
*
*This web server must have moved from the place where it is supposed to
reside, farnsworth.charite.de , not found.
Does anyone know where this web server resides now ?
TIA,
Fred.
*
##
Desmond - their installation is simple and they work
reasonably well.
---> Jack Tanner (U. Missouri-Columbia): "You might want to review the
literature on using MD to study diffusion of O2/CO in myoglobin." (I had
started in fact)
[---> Lorenzo Briganti: the reply seems t
Dear all,
I need to run MD calculations in order to follow the trajectories of a
very small molecule inside a protein. From previous calculations (not
MD) I have starting positions for this small molecule that all seem in
agreement with a possible path of motion inside the protein.
Now I nee
Dear all,
These are the replies received so far:
Daniel Rigden (U. of Liverpool) suggested to do the conversion using
https://www.webqc.org/molecularformatsconverter.php . It didn't work for
me, the small molecule may be too complex (error message when reading
the .mol file);
Petr Kolenko (
use Voidoo however I do not know where to download an
initial (and fairly comprehensive) cavity.lib file which I'd modify if
need be. The links on the USF web site appear to be broken.
I am running Linux.
Thanks for the advice,
Hi,
We already have problems with the volume taken by our standard backups
(they take too much space and we haven't been able to push the walls
outwards in the Institute - I don't know why they keep telling us that
our data should be in some clouds up in the sky). Hence I was wondering
about
Hello,
I think what you are alluding to is model bias in (macromolecular)
crystallography. What you should consult are the publications associated
with this topic, and those on the map coefficients used to compute
electron density maps (e.g. SIGMAA weighting), OMIT maps, current
refinement te
"how to get grants without papers in Nature. anyone have a solution to that
one?"
Simple: Once all of us have reviewed enough papers (with the money placed in a
common pot) we simply buy the Nature Publishing Group. All those having taken
part get a Nature paper every 4 years to ensure grant mo
sh you all a very good festive season.
Fred. Vellieux (Ph.D., HDR)
Centre of Molecular Structure
Institute of Biotechnology
Czech Academy of Sciences, BIOCEV
Prumyslova 595
252 50 Vestec
Czech Republic
Tel +420 325 873 786
-
Upozornení: Není-li v této zpráve výslovne uvedeno jinak, má tato E-mai
://www.structuralbiology.eu/jobs/specialist-in-biological-x-ray-techniques-especially-small-angle-x-ray-scattering-saxs-and-single-cr/
.
Thank you in advance,
Best regards,
F. Vellieux
Fred. Vellieux (Ph.D., HDR)
Centre of Molecular Structure
Institute of Biotechnology
Czech Academy of Sciences, BIOCEV
Prumyslova 595
Dear all,
Could you pass the following announcement on to suitable candidates (including
yourselves, of course) ?
Thank you.
Fred. Vellieux
Fred. Vellieux (Ph.D., HDR)
Centre of Molecular Structure
Institute of Biotechnology
Czech Academy of Sciences, BIOCEV
Prumyslova 595
252 50 Vestec
Czech
Hello,
Such pH drifts are rather common with crystallisation screens. Have you tried
to produce other precipitant solutions with ca. 47% PEG 1000, 80 mM Potassium
bromide but having a pH of (say) 6.2 ? A pH rangle close to that where your
crystals were obtained. This would mean changing bufferi
.
From: James Foadi [mailto:james_fo...@yahoo.co.uk]
Sent: Tuesday, July 11, 2017 10:03 AM
To: Vellieux Frédéric ; CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] AW: [ccp4bb] Rmergicide Through Programming
Hello Frederic. Interesting. Have you got some reference on this to share?
James
Dr James Foadi PhD
Hello,
I think this needs a little bit of crystarchaeology.
Rmerge and Rsym used to be different. This was at a time when data sets were
typically collected from several crystals. Pre-cryo cooling, with data recorded
on photographic film (Arndt-Wonacott cameras).
Rmerge = agreement R-factor fr
Hello,
I think it makes sense to have a look at the policy of the PDB concerning
obsoleting structures:
The publication is retracted. The associated PDB entry will be obsoleted if
requested by the journal. If a request has not been received, the wwPDB will do
its best to contact the depositor
Hello Jacob,
Quoting you, "Please let me know if you have a case where detwinning saved the
day".
Well you asked for it so here is one example where twinning saved the day:
"Crystal structure of pb9..." by Flayhan et al. (2014), J. Virol. 88 (2),
820-828. Without detwinning I think there would
Xylose Isomerase is another one.
Cheers,
Fred.
-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of WENHE
ZHONG
Sent: Wednesday, April 20, 2016 11:39 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Off topic: textbook proteins for crystallization
Dear
Hi Bernhard,
We've been thinking along the same lines over here (but then our approach was
far more "Sci Fi" like than yours, that is truly applicable in a real
laboratory environment): we were devising ways here to crystallise in space, in
black holes. Too bad, you beat us at it. Congratulatio
Hi there,
What about trying the ''olde'' method of a thin layer of oil around the
crystal? No guarantee whatsoever that this will work but if you don't try it
you won't know.
Fred.
From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Alejandro
ds,
Aleks
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
Campus EPN
71 avenue des Martyrs
CS 10090
F-38044 Grenoble Cedex 9
Tel: +33 457428605
Fax: +33 476501890
Hi there,
Following your kind suggestions, logging out and logging in again solved
the problem. Thanks !
Fred.
On 23/01/15 18:07, vellieux wrote:
Hello,
I just installed ccp4-6.5
I get an error at run time (relating to $PATH I suppose, see below)
that still contains occurrences of ccp4
79)
invoked from within
"source [file join $env(CCP4I_TOP) bin ccp4i.tcl]"
(file "/home/prog/ccp4-6.5/bin/ccp4i" line 12)
and echo $PATH contains the following entry that shouldn't be there:
/home/prog/ccp4-6.4.0/share/xia2/Applications
Would anyone know how to de
alway used the whole
model to mr. Could anyone give me some advice?
what kind of software do you guys use? really need you help!
Best regards,
Allen
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
Campus EPN
71 avenue des Martyrs
CS 10090
F-38044 Grenoble Cedex 9
Tel: +33 457428605
Fax: +33 476501890
to run coot through
X11-forwarding of an ssh-connection which sometimes causes this error
message, or you need to recompile your graphics driver, e.g. because
your kernel was updated and the driver was not.
Best,
Tim
On 12/10/2013 03:53 PM, vellieux wrote:
Hi all,
I was wondering if anyone had
d to load module "canberra-gtk-module"
coot-exe: "/home/prog/ccp4-6.4.0/bin/coot-real"
coot-version:
/home/prog/ccp4-6.4.0/bin/coot-real
platform:
/bin/uname
core: #f
No core file found. No debugging
This is not helpful.
Please turn on core dumps before sending a crash r
(green): 3 rmsd
--
*Priyank*
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS2 / ELMA
Campus EPN
6 rue Jules Horowitz
F-38042 Grenoble
Tel: +33 457428605
(Fax: +33 438785494)
the planet you sit).
Fred.
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS2 / ELMA
Campus EPN
6 rue Jules Horowitz
F-38042 Grenoble
Tel: +33 457428605
(Fax: +33 438785494)
नुसंधान कर्ता
संरचनात्मक जीवविज्ञान प्रयोगशाला
डी. एन. ए. फिंगरप्रिंटिंग एवं निदान केंद्र
हैदराबाद, ५००, ००१
और
राष्ट्रीय कोशिका विज्ञान केंद्र
पुणे विश्वविद्यालय परिसर,
गणेशखिंड
पुना, ४११,००७
--
--
स्वस्तिक फुलेरा
वरिष्ठ अनुसंधान कर्ता
संरचनात्मक जीवविज्ञान प्रयोगशाला
डी. एन. ए. फिंगरप्रिंटिंग
a
S. Thiyagarajan
Centre of Excellence in Bioinformatics
School of Biotechnology
Madurai Kamaraj University
Madurai - 625021
Ph: +91-9159224881 (cell)
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
ouvrier de la recherche
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fa
ut maybethis is not true.
There is definitely value in sharing preliminary data, especially for
junior people. To have such a function as part of CCP4 might be a very
good suggestion, but I agree with you that perhaps it should not land
in its full glory in everyone's mailbox.
Mark
--
F
nks.
Best,
Liang
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
ouvrier de la recherche
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785494
tor in Neurology, Harvard Medical School
Research Associate, Brigham and Women's Hospital
Visiting Research Scholar, Brandeis University
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
ouvrier de la recherche
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785494
e as
we practice it today. As macromolecular crystallographers, what is our
view of the importance of X-ray crystallography as an important
innovation ? Perhaps it is the time to vote for "our fav" ? Only two
days to go before the poll closes.
Thank you,
Fred.
--
Fred. Vellieux (B.Sc.
the lower resolution images varying between approximately 30
and 200!
Do we need to pay attention to some particular options for running the
program(s)?
Thank you,
Kyriacos
e-mail: petra...@imbb.forth.gr
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
ouvrier de la recherche
IBS / ELMA
41 rue Jules
ution limit for index step in
XDS? I only found a keyword INCLUDE_RESOLUTION_RANGE, but it looks to
be a definition of resolution range after index step
as it says:
INCLUDE_RESOLUTION_RANGE=20.0 0.0 !Angstroem; used by
DEFPIX,INTEGRATE,CORRECT
Thanks!
Niu
--
Fred. Vellieux (B.Sc., Ph.D.
Ed.
--
"Hurry up before we all come back to our senses!"
Julian, King of Lemurs
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
ouvrier de la recherche
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785494
does not work for you? The viewer (QtRView) was released in
6.3.0-010 already integrated with ccp4i.
Eugene
On 8 Mar 2013, at 12:56, vellieux wrote:
Hello,
I think the Subject line tells it all.
Former Linux box, Java was installed within a couple of browsers and I could
view the (nice and
advance,
Fred.
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
ouvrier de la recherche
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785494
n, it may be removed with
very little impact on performance.
Cheers,
Jon
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
ouvrier de la recherche
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785494
mentation fault - invalid memory
reference.
Backtrace for this error:
#0 0x12244B
#1 0x122A9C
#2 0x473907
#3 0x1BD238
#4 0x1CB4BF
#5 0x80486E2 in MAIN__
Segmentation fault
Without that flag it compiles & runs without error. So you may want
to try it just without that flag.
Cheers
-- Ian
, Ian Clifton and
Bernhard Rupp for their suggestions.
Fred.
On 06/03/13 10:48, vellieux wrote:
Hello,
For those who still know the Fortran language and its Fortran 77
variant, I used to have a g77 compiler here (Linux box), and now on
the new box it's no longer g77 but gfortran.
When
XMIN(I)= .
XMAX(I)=-.
5 CONTINUE
C
C OPEN INPUT FILE
C
WRITE (*,10)
10 FORMAT(///,25X,'*',
. /,25X,'* *',
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
ouvrier de la
be done with existing Fortran 77 code in order to
get it to compile and run with gfortran ? Otherwise any idea which
compiler should be used to compile Fortran 77 code ?
Thanks in advance,
Fred.
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
ouvrier de la recherche
IBS / ELMA
41 rue Jules Horowitz
F-38
d from the
processing. If SCALA cannot remove data frames one can write a specific
jiffy program to exclude specific rotation ranges from the XDS_ASCII.HKL
file, but I'd prefer to use an existing program if it allows to do what
I want to do.
Thanks in advance,
Fred.
--
Fred. Vellieux (B.
it mandatory to use the same reflections for
Rfree calculations of a ligand bound data as that
of its native?
Thank you
With Regards
Kavya
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785494
tors" in phenix GUI?
>
> Thanks a lot!
>
> Qixu Cai
--
Jon Agirre, PhD
Unit of Biophysics (CSIC-UPV/EHU)
http://sourceforge.net/projects/projectrecon/
+34656756888
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785494
You could try the Glucose Isomerase supplied by Hampton. It
crystallizes under a number of conditions, details of which you can
find in their manual.
http://hamptonresearch.com/product_detail.aspx?cid=28&sid=56&pid=56
Ganesh
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jul
--
---x
With regards
Rajesh K. Harijan
Phd Researcher
Department of Biochemistry,
University of Oulu,
Oulu, Finland- 90014
Off Phone: +358 85531174
Mob: +358 400408258
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax
twin.
Thanks
Lisa
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785494
Mill Hill, London will write a eulogy. I just want
to say that I will miss him.
Fred.
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785494
this is not the right solution or maybe
some problems with the space group?Any suggestions for next step?
Thanks very much.
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785494
nvince journals to only accept articles
written in French - not sure, this will improve their quality, though,
comparing my level of French with my level of English ;-)
Lovely discussion,
Tim
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785494
g them again after
refinement, but the problem doesn't disappear. I have spent a few
weeks looking at this and trying every possible solution to this problem.
Just wondering what else I can try to fix the issues reported!
Thanks in advance.
Regards,
KS
--
Fred. Vellieux (B.Sc.,
University
BioCity, Tykistökatu 6A
FI-20520 Turku
Finland
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785494
where...
With this I think we can close the discussion (I do not favour "ccp4bb
wars"). And I am in favour of job ads being posted to the bb.
Fred.
Original Message
Subject:Re:
Date: Tue, 30 Oct 2012 10:55:18 +
From: Nicholas Keep
To: vellie
ty_and_Research/
http://www.rsc.org/shop/books/2008/9780854042722.asp
----
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785494
PhD student
Arbeitskreis Schmitt
Institut für Biochemie
Geb. 26.32.03.21
Heinrich-Heine-Universität Düsseldorf
Universitätsstr. 1
40225 Düsseldorf
-Germany-
Tel: 0049-211-81-13577
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785494
ldorf
-Germany-
Tel: 0049-211-81-13577
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785494
should be done in the same
setup-file).
Cheers,
Tim
On 10/09/2012 09:58 AM, vellieux wrote:
Hi folks,
on my SL6.3 box, only su (root) can lauch and run ccp4i. For other
users I get this cryptic message,
/home/prog/ccp4-6.3.0/bin/ccp4i: line 4: /wish: No such file or
directory /home/prog/ccp4-
out there knows what to do in order to solve this problem ?
Ta.
F.V.
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785494
0.150
15 0.2121 0.2593 0.804228480. 12456.9 0.0188
0.939 2.190 0.995 0.150
--
Regards
Faisal
School of Life Sciences
JNU
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785494
A very nice picture of Prof. Louise Johnson can be found on
http://www.flickr.com/photos/wellcomeimages/5814718414/
The picture was taken at Diamond's IO2 beam line.
Condolences to her family and friends.
Fred.
/our-staff/emeritus-staff
http://rexpalmer2010.homestead.com
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785494
rsion, and the version of Coot for Fedora
core 12 runs and provides me with a "proper" graphics windows.
I thought I'd keep the bb informed.
F.V.
--
Fred. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jules Horowitz
F-38027 Grenoble Cedex 01
Tel: +33 438789605
Fax: +33 438785
Hi all,
The question is in the Subject line of this email: which version of Coot
should I download and install on a Scientific Linux 6.3 box ?
Ta very much in advance,
F.V.
--
F.M.D. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jules Horowitz
38027 Grenoble Cedex 01
France
Tel: +33
; Many thanks!
>
> Sheng
>
>
>
> Prof.Dr. CUI Sheng
>
> Institute of Pathogen Biology, CAMS&PUMC.
>
> Building No.7, Bei Gong Da Ruan Jian Yuan,
>
> Beijing BDA, 100176,
>
> Beijing, China.
>
> Email: cuisheng2...@yahoo.com.cn
>
> Tel. +86 10
ar all
>
> Is there any tool in CCP4 that can change all HETATM records in PDB file
> to ATOM? I need the metals to be defined as ATOM for calculation of its
> normal mode with elNémo.
>
> Thank you.
>
>
--
F.M.D. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jules Ho
? Is there any
> example of non-classical Rossmann fold bearing proteins?
>
> Thanks,
> Sudipta.
>
>
> Sudipta Bhattacharyya.
> Senior Research Fellow,
> Department of Biotechnology,
> Indian Institute of Technology Kharagpur, India.
>
--
F.M.D. Vellieux (B.Sc., Ph
n University
> Medical Scientist Training Program
> email: j-kell...@northwestern.edu
> ***
>
--
F.M.D. Vellieux (B.Sc., Ph.D., hdr)
IBS / ELMA
41 rue Jules Horowitz
38027 Grenoble Cedex 01
France
Tel: +33 438789605
Fax: +33 438785494
Hi all,
Just a (naive?) question: how does one manage to introduce (and deal
with) improper non-crystallographic symmetry in DM ? Or does one has to
go to DMmulti for that (because, by definition, going from one crystal
form to another crystal form is improper NCS) ?
Ta,
F. Vellieux
Hi there,
Not much information provided. How was the initial model refined ?
Phenix ? It could be a problem with the Refmac refinement protocol
(difficult to say with so little information) if you switched from
Phenix to Refmac.
How certain are you 1 - of the space group; 2 - that the crysta
Do you mean we should crush the helmets and solve the structure of the
resulting powder blue coloured powder by crystallographic methods ?
Sounds like a good proposal to be put forward to the UN to help them get
rid of their used helmets !
David Schuller wrote:
On 07/04/12 08:03, Vellieux
The press release in English:
http://www.un.org/News/Press/docs/2012/ga11262.doc.htm
Boaz: perhaps the crystallography congresses and events taking place in
2014 will be attended by UN peacekeeping force members as well (with
their blue helmets) ?
F.V.
Boaz Shaanan wrote:
Et alors, what wil
Dear colleagues,
Information just received here through the AFC channels: the UN general
assembly has declared that 2014 will be the international year of
crystallography.
Their statement (in French) as an attachment (sorry about including an
attachment).
F. Vellieux
IYCr-FR.pdf
J. Sync. Rad. 18, 74-78 (PMID: 21169697)
and
http://www.natx-ray.com/products/catalogue_consum_CSM002.html
HTH,
Fred.
F.M.D. Vellieux (B.Sc., Ph.D., hdr)
Institut de Biologie Structurale J.-P. Ebel CEA CNRS UJF
LBM/ELMA
41 rue Jules Horowitz
38027 Grenoble Cedex 01
France
Tel: +33 (0) 438789605 (direc
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