Re: [ccp4bb] CCDs + Re: PILATUS data collection

2013-05-19 Thread John R Helliwell
as it can get? Greetings, John Prof John R Helliwell DSc On Thu, May 16, 2013 at 6:03 PM, Gerard Bricogne g...@globalphasing.comwrote: Dear James, A week ago I wrote what I thought was a perhaps excessively long and overly dense message in reply to Theresa's initial query, then I thought I

Re: [ccp4bb] Concerns about statistics

2013-06-14 Thread John R Helliwell
clear to the reader. Best wishes, John Professor John R Helliwell DSc On Thu, Jun 13, 2013 at 4:15 PM, Andrea Edwards edwar...@stanford.eduwrote: Hello group, I have some rather (embarrassingly) basic questions to ask. Mainly.. when deciding the resolution limit, which statistics are the most

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-04-05 Thread John R Helliwell
.] The IUCr Diffraction Data Deposition Working Group is actively addressing all these various issues. We weclome your input at the IUCr Forum, which will thereby be most timely. Thankyou. Best wishes, Yours sincerely, John Professor John R Helliwell DSc On Thu, Apr 5, 2012 at 1:24 AM, aaleshin aales

Re: [ccp4bb] Powder Rings in Single Crystals

2012-05-09 Thread John R Helliwell
*** -- Professor John R Helliwell DSc

[ccp4bb] Commensurate superlattice discussion; summing up and thankyou

2007-03-29 Thread John R Helliwell
colleagues that I have not highlighted here, but who were all helpful either with ingenious suggestions or with good strategic/tactical advice. Best wishes, John Helliwell -- John R Helliwell Professor of Structural Chemistry, The University of Manchester;

[ccp4bb] Sad news; Emeritus Professor Durward W J Cruickshank

2007-07-17 Thread John R Helliwell
will be held at a later date, details to follow. Best wishes, Yours sincerely, John -- John R Helliwell Professor of Structural Chemistry, The University of Manchester; Visiting Scientist at STFC Daresbury Laboratory.

Re: [ccp4bb] Diamond and ESRF future.

2008-03-06 Thread John R Helliwell
University of Leicester Lancaster Road Leicester LE1 9HN UK tel. (0)116 229 7097 fax. (0)116 229 7084 -- -- John R Helliwell DSc Professor of Structural Chemistry, The University of Manchester;

[ccp4bb] Input to STFC

2008-03-20 Thread John R Helliwell
sincerely, John -- John R Helliwell DSc Professor of Structural Chemistry, The University of Manchester;

Re: [ccp4bb] Charge flipping.

2010-05-25 Thread John R Helliwell
of course be different. Best wishes, John Prof John R helliwell On Sat, May 22, 2010 at 3:23 PM, Francis E Reyes francis.re...@colorado.edu wrote: Hi all I've been playing around with charge flipping for macromolecular substructure determination with pretty promising results. I'm particularly

Re: [ccp4bb] Merohedral twining for P212121.

2010-06-23 Thread John R Helliwell
, John Prof John R Helliwell J.R. Helliwell “Macromolecular crystal twinning, lattice disorders and multiple crystals” Crystallography Reviews (2008) 14, 189-250. On Tue, Jun 22, 2010 at 5:35 PM, Ian Tickle ianj...@gmail.com wrote: On Tue, Jun 22, 2010 at 4:32 PM, Colin Nave colin.n

Re: [ccp4bb] Beginning crystallography text

2010-07-10 Thread John R Helliwell
Reviews. Bes wishes, John Prof John R Helliwell On Thu, Jul 8, 2010 at 8:35 PM, Peter Hsu hsuu...@u.washington.edu wrote: Hi all, I haven't gotten past the phase of growing the crystal, but I'd certainly still like to learn the actual theories of crystallography. Can anyone recommend a good

Re: [ccp4bb] Off topic: PKa of protein-DNA complex.

2010-08-14 Thread John R Helliwell
. Henchman; John R. Helliwell available at:- http://www.informaworld.com/smpp/content~db=all~content=a915050320~tab=content~order=page Best wishes, John Prof John R Helliwell DSc On Thu, Aug 12, 2010 at 6:11 PM, yang li robertcatru...@gmail.com wrote: Hi,    Is there any server or program can

[ccp4bb] CCP4MG in Windows7

2010-08-20 Thread John R Helliwell
a folder or via a download) it leads to the message appearing :- python.exe has stopped working. I would be grateful for any insights on this difficulty. Thank you, Yours sincerely, John Professor John R Helliwell DSc

[ccp4bb] Intensive 2-day School in Biological and Chemical Crystallography

2010-10-01 Thread John R Helliwell
and Healthcare professionals, IT professionals, School teachers. Best wishes, Yours sincerely, John Professor John R Helliwell DSc

Re: [ccp4bb] protein ligand energy

2010-10-13 Thread John R Helliwell
: Relating structure to thermodynamics of binding” (1998) Faraday Transactions 94(11), 1603–1611. we found it important to undertake MD, from the starting crystal structures, to get reasonable cross-checks against the available calorimetry data. Greetings, John Professor John R Helliwell DSc

Re: [ccp4bb] protein ligand energy

2010-10-14 Thread John R Helliwell
. Best wishes, John Prof John R Helliwell DSc On Wed, Oct 13, 2010 at 3:35 PM, Martyn Winn martyn.w...@stfc.ac.uk wrote: This is all true. And I think the bottom line is that it is extremely non-trivial to get a meaningful number. The Amber MM-PBSA script is the best established one. We have

Re: [ccp4bb] Strange spots

2010-10-29 Thread John R Helliwell
Dear Dave, You have a collector's item there! The closest I have seen is illustrated in my book 'Macromolecular Crystallography with Synchrotron Radiation' page 321, which is a small molecule example. Best wishes, John Prof John R Helliwell DSc On Fri, Oct 29, 2010 at 5:08 PM, David Goldstone

Re: [ccp4bb] Strange spots

2010-10-31 Thread John R Helliwell
/Proteincrystalscanbeincommensurate lymodulated.pdf Petr On 10/29/10 6:08 PM, David Goldstone david.goldst...@nimr.mrc.ac.uk wrote: Dear All, Does anyone have any insight into what the circles around the spots might be? cheers Dave -- Professor John R Helliwell DSc

Re: [ccp4bb] Strange spots

2010-11-03 Thread John R Helliwell
-- David Goldstone, PhD National Institute for Medical Research Molecular Structure The Ridgeway Mill Hill London NW7 1AA -- Professor John R Helliwell DSc

Re: [ccp4bb] [RANT] Publication Data Formats

2010-11-17 Thread John R Helliwell
to supplementary information as discussed in this thread. Yours sincerely, John Professor John R Helliwell DSc On Wed, Nov 17, 2010 at 6:39 AM, James Stroud xtald...@gmail.com wrote: I was reading the PNAS author guidelines and I came across this gem: Datasets: Supply Excel (.xls), RTF, or PDF files

Re: [ccp4bb] Citations in supplementary material

2010-11-17 Thread John R Helliwell
their publications. What do you think? Victor -- Professor John R Helliwell DSc

Re: [ccp4bb] Citations in supplementary material

2010-11-18 Thread John R Helliwell
that the high impact magazines currently, mainly, command. All best wishes, John Prof John R Helliwell DSc On 17 Nov 2010, at 18:28, Jacob Keller j-kell...@fsm.northwestern.edu wrote: Supplementary info seems to me to be a double-edged sword--I just read a Nature article that had 45 pages

Re: [ccp4bb] Citations in supplementary material

2010-11-19 Thread John R Helliwell
it. James On Nov 18, 2010, at 1:14 AM, John R Helliwell wrote: Dear Jacob, Your posting reminds me of a Research Information Network Conference I went to in 2006 in London. Your views coincide with a presenter there, Peter Mika. His talk can be found at:- http://www.rin.ac.uk/news

Re: [ccp4bb] Citations in supplementary material

2010-11-19 Thread John R Helliwell
. A. On Nov 19, 2010, at 12:32, John R Helliwell wrote: I don't wish to vear away from Victor's thrust with starting this thread and I would happily sign the petition you suggest. But I feel I should respond to the assertions about 'problems of peer review' at least with respect to Journals of my

Re: [ccp4bb] Citations in supplementary material

2010-11-22 Thread John R Helliwell
, so please forgive me if this is an old and dead topic. Regards, Francois. -- Professor John R Helliwell DSc

Re: [ccp4bb] Citations in supplementary material

2010-11-22 Thread John R Helliwell
, so please forgive me if this is an old and dead topic. Regards, Francois. -- Professor John R Helliwell DSc

[ccp4bb] Reminder: Intensive 2-day School in Biological and Chemical Crystallography

2010-11-22 Thread John R Helliwell
, pharmaceutical, clinical), University academics, Postdoctoral and postgraduate researchers, Industrial RD Managers, Biochemical, Biotechnology and Healthcare professionals, IT professionals, School teachers. Best wishes, Yours sincerely, John Professor John R Helliwell DSc Bursaries One

Re: [ccp4bb] unusual diffraction spots

2010-11-25 Thread John R Helliwell
Limited (company no. 4375679). Registered in England and Wales with its registered office at Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom -- Professor John R Helliwell DSc

Re: [ccp4bb] Resolution and distance accuracies

2010-12-23 Thread John R Helliwell
0.1-0.3 Angstroms, but can anyone point me to a more exact theory of distance accuracy compared to optical resolution, preferably one that would apply to microscopy as well. Have a Happy Christmas and see many of you at CCP4 Nick -- Professor John R Helliwell DSc

Re: [ccp4bb] Processing Laue data

2011-01-28 Thread John R Helliwell
Laue data to produce an intensity data set? Are explanatory notes or publications available? Rex Palmer Birkbeck College -- Professor John R Helliwell DSc

Re: [ccp4bb] Processing Laue data

2011-01-28 Thread John R Helliwell
Szebenyi (MacCHESS) successfully modified the code to read an ADSC detector image format. Best, Quan On 1/28/2011 5:33 PM, John R Helliwell wrote: Dear Tim, What problems have you had during installation? Prof Hao Quan can advise on technical and computer platform details. I copy him

Re: [ccp4bb] CNS and protein structure refinement

2011-02-16 Thread John R Helliwell
Rfree from CNS for example to be different from the value given by Refmac at the end of the refinement?  Rex Palmer  Birkbeck College -- Professor John R Helliwell DSc

[ccp4bb] Next Manchester Crystallography Intensive School to be held January 2012

2011-02-18 Thread John R Helliwell
provided (Manchester United versus Liverpool), which was attended by one of our participants! Best wishes, Yours sincerely, John Professor John R Helliwell DSc

Re: [ccp4bb] strange density

2011-02-24 Thread John R Helliwell
-- Professor John R Helliwell DSc

Re: [ccp4bb] Processing Laue data

2011-03-02 Thread John R Helliwell
Asst. Professor University of Wisconsin-Milwaukee Department of Physics Room 454 1900 E. Kenwood Blvd. Milwaukee, WI 53211 phone: +1-414-229-4338 email: m-schm...@uwm.edu http://users.physik.tu-muenchen.de/marius/ -- Professor John R Helliwell DSc

Re: [ccp4bb] I/sigmaI of 3.0 rule

2011-03-03 Thread John R Helliwell
(Venetian Institute of Molecular Medicine) via Orus 2, 35129 Padova - ITALY tel. +39.049.7923236 fax +39.049.7923250 www.vimm.it -- Professor John R Helliwell DSc

Re: [ccp4bb] I/sigmaI of 3.0 rule

2011-03-04 Thread John R Helliwell
John R Helliwell DSc

Re: [ccp4bb] Jrh input Re: [ccp4bb] what to do with disordered side chains

2011-04-03 Thread John R Helliwell
terminology). Yours sincerely, John Prof John R Helliwell DSc -- I'd jump in myself, if I weren't so good at whistling.                               Julian, King of Lemurs -- Professor John R Helliwell DSc

[ccp4bb] REXS2011 Registration deadline May 1st

2011-04-25 Thread John R Helliwell
. Materlik, C.J. Sparks K. Fischer,North-Holland,1994). Dr Richard Kahn will deliver the Opening Lecture on MAD at REXS2011. Best wishes, John Professor John R Helliwell DSc

Re: [ccp4bb] should the final model be refined against full datset

2011-10-17 Thread John R Helliwell
representatives are listed below. Best wishes and regards, Yours sincerely, John Prof John R Helliwell DSc Chairman of the IUCr Diffraction Data Deposition Working Group (IUCr DDD WG). IUCr DDD WG Members Steve Androulakis (TARDIS representative) John R. Helliwell (Chair) (IUCr ICSTI Representative

Re: [ccp4bb] IUCr committees, depositing images

2011-10-18 Thread John R Helliwell
of the IUCr Madrid Congress inaugural meeting and a paper from the Commission on Biological Macromolecules (lead author Tom Terwilliger) . We look forward to your inputs to the Forum. Best wishes, John Prof John R Helliwell DSc Chairman of the IUCr Diffraction Data Deposition Working Group (IUCr DDDWG

Re: [ccp4bb] IUCr committees, depositing images

2011-10-26 Thread John R Helliwell
second search reveals that Newegg has a 3GB hitachi for $200. So that's about $1000 / year of storage for the raw data behind PDB deposits. James -- Professor John R Helliwell DSc

Re: [ccp4bb] RFI on access to digital data

2011-11-10 Thread John R Helliwell
.: +44 (0)1223 353033 Global Phasing Ltd.,                             Fax.: +44 (0)1223 366889 Sheraton House, Castle Park, Cambridge CB3 0AX United Kingdom -- Professor John R Helliwell DSc

Re: [ccp4bb] image compression

2011-11-30 Thread John R Helliwell
Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH http://www.iucr.org/resources/commissions/crystallographic-computing/schools/mieres2011 -- Professor John R Helliwell DSc

Re: [ccp4bb] Mg or water?

2011-12-16 Thread John R Helliwell
is if the ligand distance (L) is then 3sigma (L). Best wishes, Prof John R Helliwell DSc. On Thu, Dec 15, 2011 at 9:29 PM, bie gao gao...@gmail.com wrote: Thank you all for the help. These are the key factors I collected so far: 1. Distance, Mg--O is shorter (2.0 -- 2.4A) 2. Coordination, Mg

Re: [ccp4bb] Reasoning for Rmeas or Rpim as Cutoff

2012-01-28 Thread John R Helliwell
*** -- *** Jacob Pearson Keller Northwestern University Medical Scientist Training Program email: j-kell...@northwestern.edu *** -- Professor John R Helliwell DSc

Re: [ccp4bb] choice of wavelength

2012-02-16 Thread John R Helliwell
crystalline proteins is recorded with shorter wavelengths than is customary the radiation damage may be reduced and absorption corrections become less important. Best wishes, John Professor John R Helliwell DSc On Wed, Feb 15, 2012 at 11:55 PM, Bart Hazes bha...@ualberta.ca wrote: Diffracted

Re: [ccp4bb] Fwd: HR3699, Research Works Act

2012-02-17 Thread John R Helliwell
. -- Professor John R Helliwell DSc

Re: [ccp4bb] one datum many data? [was Re: [ccp4bb] very informative - Trends in Data Fabrication]

2012-04-02 Thread John R Helliwell
crystallography, per crystal structure checked, than would be the case for macromolecular crystallography. Again I encourage colleagues to lodge their inputs at the IUCr Forum on any aspect of principle or practice in achieving diffraction raw data archiving. Best wishes, John John R Helliwell

Re: [ccp4bb] decrease of background with distance?

2009-11-27 Thread John R Helliwell
. These are both important points then for the growing categories of microcrystals, which I know you have been very usefully surveying, and ever larger molecular weight complexes ie both of which are challenged by S/N for the Bragg spots notably at higher resolution. Best wishes, John Professor John R

Re: [ccp4bb] decrease of background with distance?

2009-12-02 Thread John R Helliwell
these differing views. No doubt more later. Seasons' Greetings, John Prof John R Helliwell DSc On Fri, Nov 27, 2009 at 9:48 AM, John R Helliwell jrhelliw...@gmail.comwrote: Dear Richard, A most interesting discussion has ensued! The balance of elastic versus inelastic scattering becomes the core

Re: [ccp4bb] decrease of background with distance?

2009-12-27 Thread John R Helliwell
to check this first for relevance to the current CCP4bb discussion thread]. Best wishes to all for 2010, John Prof John R Helliwell DSc On Wed, Dec 2, 2009 at 3:45 PM, Richard Gillilan r...@cornell.edu wrote: Hi John, thanks for your input. I would certainly like to get a copy of your

Re: [ccp4bb] Refining against images instead of only reflections

2010-01-21 Thread John R Helliwell
but one approach here in UK is to contact both likely Agencies' relevant Programme Managers and initiate a three way e-discussion. After all they can contemplate sharing the cost! Good luck, Best wishes, John Prof John R Helliwell On Wed, Jan 20, 2010 at 5:47 PM, Jacob Keller j-kell

Re: [ccp4bb] Refining against images instead of only reflections

2010-01-26 Thread John R Helliwell
send and receive e-mails on the basis that the Company is not liable for any such alteration or any consequences thereof. Astex Therapeutics Ltd., Registered in England at 436 Cambridge Science Park, Cambridge CB4 0QA under number 3751674 -- Professor John R Helliwell DSc

[ccp4bb] 2nd Circular for ISDSB2010 Paris May 2010 now available

2010-02-03 Thread John R Helliwell
Dear Colleagues, The 2nd Circular for the International Symposium on Diffraction Structural Biology (ISDSB2010) is now available to download from the Conference website:- http://www.synchrotron-soleil.fr/images/File/ISDSB2010-2ndcircular-010210.pdf Best wishes, John Professor J R Helliwell DSc On

[ccp4bb] Early Bird Registration and abstract submission for ISDSB2010

2010-02-23 Thread John R Helliwell
Dear Colleagues, The Early Bird registration and abstract submission for the ISDSB2010, to be held in Paris towards the end of May, is still open until Feb 28th 2010. See below extract from the website Best wishes, John Professor John R Helliwell DSc http://www.synchrotron-soleil.fr/portal/page

Re: [ccp4bb] Micro-g Crystal Growth and the literature

2010-05-11 Thread John R Helliwell
that we always saw the emphasis to be on fundamental understanding of microg protein crystal growth and crystal perfection. In the USA both fundamental research and sales to Pharma companies seemed to be promoted simultaneously. Best wishes, John Prof John R Helliwell On Mon, May 10, 2010 at 10:30 PM

Re: [ccp4bb] advice on anomoulous data collection strategy---low resolution, radiation damage, high mosaicity

2015-04-17 Thread John R Helliwell
-- Professor John R Helliwell DSc

Re: [ccp4bb] Picking water molecules at 4A structure.

2015-04-17 Thread John R Helliwell
could see some small water like densities...all throughout the complex. Now my query is, whether one should pick water molecules at this low resolutions or it is totally unscientific to do so? Many thanks in advance...!!! My best regards, Sudipta. -- Professor John R Helliwell DSc

Re: [ccp4bb] Heavy-atom derivatives

2015-07-02 Thread John R Helliwell
wishes, -- Giulliana Rangel M.S. Biotechnology Program - UNIFESP Structural Biology Laboratory Phone: +55 (12) 3309-9698 330 Talim St ZIP CODE 12231-280 São José dos Campos - SP/ BR -- Professor John R Helliwell DSc

Re: [ccp4bb] Rotation

2016-12-03 Thread John R Helliwell
MacCHESS, Cornell University > schul...@cornell.edu > > -- Professor John R Helliwell DSc

Re: [ccp4bb] To win or not twinning?

2016-12-03 Thread John R Helliwell
ction images > and understand what I am seeing. The basics like recognizing bad data and > what usually leads to deformity in the spots (for example, elliptical or > duplicated) would be of great help. > > 2 - Should I look for other space groups? What else could be tried? Is > this a case where a twin law should be used in the refinement? If yes, what > can I do to confirm the need for a twin law in the refinement? > > Thank you all in advance. > Regards, > Napo > -- Professor John R Helliwell DSc

[ccp4bb] IUCr DDDWG Workshop on "Research Data Management" will be at ACA 2017 in New Orleans

2017-03-29 Thread John R Helliwell
Dear Colleagues, We draw your attention to the next IUCr Diffraction Data Deposition Working Group (DDDWG) Workshop which is entitled "Research Data Management" to be held at the ACA 2017 in New Orleans. Details can be found here:- http://forums.iucr.org/viewtopic.php?f=21=395

[ccp4bb] Landscape report on open research data

2017-06-30 Thread John R Helliwell
features various times in the document, as does genomics and astronomy. As well as being an excellent survey I think the report brings out numerous issues within this very important topic. All best wishes, John Emeritus Professor John R Helliwell DSc

[ccp4bb] Final report of the IUCr Diffraction Data Deposition Working Group

2017-09-07 Thread John R Helliwell
C=O-D0K8K_PcEspfxeGxZQYWhd61iTrQmoXKD0_aYD_yEP1opsEPbUCA..=http%3a%2f%2fforums.iucr.org%2fviewtopic.php%3ff%3d21%26t%3d396> Yours sincerely, John Professor John R Helliwell DSc

[ccp4bb] Open Access weblink to Final report of IUCr Diffraction Data Deposition Working Group

2017-09-07 Thread John R Helliwell
Apologies everyone. The open access weblink is:- http://forums.iucr.org/viewtopic.php?f=21=396 John Emeritus Professor John R Helliwell DSc

[ccp4bb] Faraday Discussion on Photo induced processes in nucleic acids and proteins

2017-09-26 Thread John R Helliwell
Dear Colleagues, I draw your attention to this upcoming Faraday Discussion which i imagine will be of interest:- http://www.rsc.org/events/detail/24607/photoinduced-processes-in-nucleic-acids-and-proteins-faraday-discussion Greetings, John Emeritus Professor John R Helliwell DSc

[ccp4bb] European Crystallography Meeting Oviedo; Neutron Macromolecular Crystallography Satellite Meeting

2018-05-09 Thread John R Helliwell
Dear Colleagues, We draw your attention to the following meeting in Oviedo, Spain in August:- https://ecm31.ecanews.org/en/neutron-macromolecular-crystallography.php Best wishes, John and Matthew Emeritus Professor John R Helliwell DSc; Dr Matthew Blakeley, Institut Laue Langevin.

Re: [ccp4bb] AW: [ccp4bb] tNCS problem

2018-05-08 Thread John R Helliwell
be all set to proceed ok. Best wishes, John Emeritus Professor John R Helliwell DSc > On 8 May 2018, at 15:50, herman.schreu...@sanofi.com wrote: > > Dear JiYG, > > Unless the tNCS has caused processing problems, Phaser should automatically > deal with tNCS and I would

Re: [ccp4bb] Table 1 successor in 3D?

2018-06-05 Thread John R Helliwell
c form at > > https://www.cell.com/structure/fulltext/S0969-2126(18)30138-2 > > in which part of his general argument revolves around an example > (given as Figure 1) that he produced by means of the STARANISO server > at &g

Re: [ccp4bb] Table 1 successor in 3D?

2018-06-05 Thread John R Helliwell
time. > > > With best wishes, > > Gerard. > > -- > On Tue, Jun 05, 2018 at 11:09:42AM +0100, John R Helliwell wrote: > > Dear Colleagues > > Thankyou to Gerard for the prompt of last Friday on CCP4bb to read in > > detail Bernhard's perspe

[ccp4bb] Workshop on nMX at ECM31, the programme is now online

2018-08-02 Thread John R Helliwell
Dear Colleagues, The Workshop on nMX at ECM31, the programme is now online at:- https://ecm31.ecanews.org/en/neutron-macromolecular-crystallography.php There is still time to register. Best wishes, John Emeritus Professor John R Helliwell DSc

Re: [ccp4bb] Should we still keep copies of all raw data?

2018-07-13 Thread John R Helliwell
raw data underpinning a publication be archived and its doi cited. That doi can also be entered into the relevant PDB deposition. Best wishes, John Emeritus Professor John R Helliwell DSc > On 13 Jul 2018, at 10:30, Sergei Strelkov wrote: > > Dear All, > > > I believe

Re: [ccp4bb] Should we still keep copies of all raw data?

2018-07-13 Thread John R Helliwell
Dear Frank, CERN does save all its data. It also hosts the Zenodo science data archive. The Square Kilometre Array has decided to save processed data rather than its raw data as they have concluded that isn't possible. Best wishes, John Emeritus Professor John R Helliwell DSc > On 13 Jul 2

Re: [ccp4bb] B-factor standardization

2018-04-05 Thread John R Helliwell
m atom oscillation, since Bave differences are neutralized. > > Does anyone can help me in finding a publication (80s or 90s) where these > BS values are used? > > Thanks! > > Oliviero > -- Professor John R Helliwell DSc

[ccp4bb] IUCr Congress 2020 in Prague programme planning; data aspects

2019-01-01 Thread John R Helliwell
wishes, John Emeritus Professor John R Helliwell DSc Chairman of the IUCr Committee on Data To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1

Re: [ccp4bb] Open Access Repositories for Big Data?

2019-01-18 Thread John R Helliwell
and that 50 Gbytes would be much better and eg thereby allow for a time resolved diffraction sequence of datasets. One week later it had increased from 5 to 50 Gbytes per data set. Greetings, John Emeritus Professor John R Helliwell DSc > On 18 Jan 2019, at 16:41, Aaron Finke wr

[ccp4bb] JRH report on International Data Week 2018

2018-12-20 Thread John R Helliwell
Dear Colleagues, I mention that my report on International Data Week 2018 can be found here:- http://forums.iucr.org/viewtopic.php?f=39=409 and which I imagine will be of general interest. All best wishes, John Emeritus Professor John R Helliwell DSc IUCr Representative to CODATA and Chairman

[ccp4bb] UK Open Research Data Task Force weblink to Report, Case studies and Minister’s response

2019-03-18 Thread John R Helliwell
Dear Colleagues, Thankyou for asking about the weblink to the case studies. The UK Open Research Data Task Force weblink to Report, Case studies and Minister’s response is here:- https://www.gov.uk/government/publications/open-research-data-task-force-final-report Best wishes, John

Re: [ccp4bb] Importance of temperature during initial crystallization screening

2019-08-02 Thread John R Helliwell
Dear Sergei, There is also this high temperature crystallisation study of lysozyme, up to 55 degrees C:- https://febs.onlinelibrary.wiley.com/doi/abs/10.1016/0014-5793%2872%2980273-4 Best wishes, John Emeritus Professor John R Helliwell DSc > On 1 Aug 2019, at 10:23, Sergei Strelkov wr

Re: [ccp4bb] challenges in structural biology

2019-09-16 Thread John R Helliwell
Dear James, Here you go, a “grand challenge” suggestion to consider for funding from the “James Holton Foundation for structural biology research”:- “The human genome/proteome in 3-D” Greetings, John Emeritus Professor John R Helliwell DSc > On 14 Sep 2019, at 02:39, James Holton wr

[ccp4bb] General interest

2019-09-08 Thread John R Helliwell
=422=f14add194ce5e9c146b51b6ace1ad72a Best wishes, John Emeritus Professor John R Helliwell DSc Chairman of IUCr Committee on Data To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk

Re: [ccp4bb] challenges in structural biology

2019-09-19 Thread John R Helliwell
! John Emeritus Professor John R Helliwell DSc https://www.crcpress.com/The-Whats-of-a-Scientific-Life/Helliwell/p/book/9780367233020 > On 18 Sep 2019, at 22:15, James Holton wrote: > > Thank you John, an excellent choice as always. Here is your trillion > dollars! Now, what a

[ccp4bb] General interest

2019-07-30 Thread John R Helliwell
Dear Colleagues, For your general interest, you can find the lecture slides that I presented at ACA 2019 in the Transactions Symposium on Data via the weblink here:- https://forums.iucr.org/viewtopic.php?f=39=421 Best wishes, John Emeritus Professor John R Helliwell DSc Chairman of IUCr CommDat

[ccp4bb] General interest

2019-08-01 Thread John R Helliwell
Dear Colleagues, The details, including all abstracts, for the IUCr Satellite at ECM32 Vienna on Data Science Skills in Publishing for Editors, Authors and Referees can be found here:- https://forums.iucr.org/viewtopic.php?f=39=419 Best wishes, John Emeritus Professor John R Helliwell DSc

Re: [ccp4bb] AW: [ccp4bb] challenges in structural biology

2019-09-20 Thread John R Helliwell
as being interesting how the rice genome is more complicated than our genome. Best wishes, John Emeritus Professor John R Helliwell DSc > On 19 Sep 2019, at 08:35, Kollmar, Martin wrote: > > Dear John, > the „100,000 human genes“ is a long-standing myth broad forward by the > initia

[ccp4bb] General interest

2019-09-30 Thread John R Helliwell
Dear Colleagues, I draw your attention to my posting at the IUCr Committee on Data Public Forum ( https://forums.iucr.org/viewtopic.php?f=39=423 ) about the recent USA National Academies Report on Reproducibility and Replicability in Science. Best wishes, John Emeritus Professor John R

[ccp4bb] General interest

2019-11-15 Thread John R Helliwell
Dear Colleagues, I imagine the two articles that I describe in my posting at the IUCr’s Forum will be of interest to the MX community. See:- https://forums.iucr.org/viewtopic.php?f=39=427 All best wishes, John Emeritus Professor John R Helliwell DSc

Re: [ccp4bb] Off-topic (somewhat): Call for papers on structure-guided kinase drug discovery

2019-11-22 Thread John R Helliwell
that with typically 40 % or more profits made by the commercial publishers of research. It is not a given that our community IUCr journals will simply just survive. We all need to take responsibility for ensuring that they do. Yours sincerely, John Emeritus Professor John R Helliwell DSc Editor

[ccp4bb] IUCr Committee on Data Workshops at IUCr Congress Prague

2020-02-13 Thread John R Helliwell
Dear Colleagues, The IUCr Committee on Data has two workshops, one in macromolecular & one in chemical crystallography, to be held at IUCr Congress Prague, each to be held August 22nd 2020. See https://forums.iucr.org/viewtopic.php?f=39=429 Best wishes, John Emeritus Professor John R Helli

Re: [ccp4bb] problem in structure solution of multidomain protein

2020-02-12 Thread John R Helliwell
Professor John R Helliwell DSc > On 12 Feb 2020, at 07:23, Rajnesh Kumari Yadav wrote: > > Hello everyone, > > I am working on a protein which have 5 domain in it, we have its 4 domain > structure and 3.0 Angstrom data of 5 domain protein crystal. While doing the > Mol

Re: [ccp4bb] Macromolecular Crystallography workshop in South America 2020

2020-02-07 Thread John R Helliwell
in this thread there is guidance such as here https://ecm31.ecanews.org/en/statement-on-gender-balance.php Best wishes, John Emeritus Professor John R Helliwell DSc Gender Equality Champion, School of Chemistry, University of Manchester 2009-2011. > On 7 Feb 2020, at 09:32, Anastassis Perra

Re: [ccp4bb] FW: [ccp4bb] [3dem] Which resolution?

2020-02-17 Thread John R Helliwell
Professor John R Helliwell DSc > On 17 Feb 2020, at 13:59, Nave, Colin (DLSLtd,RAL,LSCI) > wrote: > >  > Hi John > I agree that if I truncate the data at a high information content threshold > (e.g. 2 bits) series termination errors might hide the lighter atoms (

Re: [ccp4bb] FW: [ccp4bb] [3dem] Which resolution?

2020-02-17 Thread John R Helliwell
to get into in practice.. Greetings, John Emeritus Professor John R Helliwell DSc > On 17 Feb 2020, at 21:57, Nave, Colin (DLSLtd,RAL,LSCI) > wrote: > >  > Hi John > I agree that neutrons have a role to increase the contrast for certain atoms. > The “water window” f

Re: [ccp4bb] Shipping samples for neutron diffraction

2020-02-19 Thread John R Helliwell
Dear Stephen, A particularly well informed advisor would be your likely collaborator, your neutron facility scientist. Anyway please do read section 5 of https://onlinelibrary.wiley.com/iucr/doi/10.1107/S0907444905001368 Best wishes, John Emeritus Professor John R Helliwell DSc > On 19

Re: [ccp4bb] on-topic: your opinions requested!

2020-04-07 Thread John R Helliwell
, which will affect your choice. All the best, John Emeritus Professor John R Helliwell DSc > On 7 Apr 2020, at 16:08, Artem Evdokimov wrote: > >  > Dear CCP4ers, > > I would like to solicit your thoughts on the following (this is a real > situation, but salien

Re: [ccp4bb] Free Springer e-books

2020-04-24 Thread John R Helliwell
Dear Colleagues, Thankyou Eugene. Just to mention that I reviewed the fourth edition of the book by Ladd and Palmer:- http://journals.iucr.org/d/issues/2006/03/00/pf0023/index.html (IUCr Journals’ book reviews are free to access.) Best wishes, John Emeritus Professor John R Helliwell DSc

[ccp4bb] General interest re research data

2020-09-01 Thread John R Helliwell
Emeritus Professor John R Helliwell DSc Chairman of the IUCr Committee on Data To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1 This message

Re: [ccp4bb] Quest for resolution-sensitive substructure determination cases

2020-10-12 Thread John R Helliwell
an absolute scale the differences greater than, say, 4 or 5 times the observed average value are unlikely. I feel sure we are all eager to know this possible improvement in Phaser that you are exploring. Greetings, John Emeritus Professor John R Helliwell DSc > On 11 Oct 2020, at 14:17, Ra

Re: [ccp4bb] Strange Pseudosymmetry Effects

2020-05-29 Thread John R Helliwell
hone #: (888) 675-8261 > > www.nanoimagingservices.com > > > -- > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1 > > > > >

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