Re: [ccp4bb] is it Ok to freeze

new generation researcher). Research Student Institute for Biophysical Chemistry Hannover Medical School Germany Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] program for distribution of distances

Kristof Van Hecke, PhD Biomoleculaire Architectuur Celestijnenlaan 200 F B-3001 Heverlee (Leuven) Tel: +32(0)16327477 -- Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm Harry -- Dr Harry Powell, MRC Laboratory of Molecular B

Re: [ccp4bb] Question re: ice rings in diffraction data

.D. Dept. of Biochemistry/Pharmacology & Toxicology Botterell Hall, Rooms 623 and 634 (lab) Queen's University, Kingston, ON, K7L 3N6 Phone: 613-533-2993, 613-533-6293 (lab) E-mail: [EMAIL PROTECTED] Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] Problems installing MOSFLM on Leopard

M. Any suggestions as to what to try? -T Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] Problems installing MOSFLM on Leopard

Hi folks that should have read "OS X .app (i.e.)" On 26 Aug 2008, at 03:03, harry powell wrote: If there is demand for an OS X (i.e. something that you double click the icon to run) I can supply Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre,

Re: [ccp4bb] xds and Saturn troubles

SION_RATIO Any ideas what this might be? Thanks a lot Jan -- Jan Abendroth deCODE biostructures Seattle / Bainbridge Island WA, USA work: JAbendroth_at_decode.is home: Jan.Abendroth_at_gmail.com Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

[ccp4bb] Release of Mosflm version 7.0.4 & iMosflm 1.0.0

rd Diffraction and Bruker CCDs can all be handled better than previously. Many bugs fixed Harry, Luke and Andrew -- Harry Powell, Luke Kontoggianis Andrew Leslie MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] Crystallographic computing platform recommendations?

#x27;s worth. Anybody have suggestions or specs they'd like to share? Thanks in anticipation of your advice. Regards, Anna Gardberg Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] iMosflm in 6.1 under OS X

m/src/imosflm.tcl" line 91) invoked from within "source $env(IMOSFLM)" (file "/sw/share/xtal/ccp4-6.1.0/ccp4i/imosflm/imosflm.tcl" line 111) Regards, Andrzej Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] ccp4-6.1.0: iMosflm libtermcap.so.2 error

----- This message was sent using IMP, the Internet Messaging Program. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] ccp4-6.1.0: iMosflm libtermcap.so.2 error - SOLVED

ptop! At the same time I was looking on how to get this library, I also downloaded the imosflm zipped file and the ipmosflm executable from http://www.mrc-lmb.cam.ac.uk/harry/imosflm/ , as Harry Powell suggested. Comparing my installation (it is an installation from binaries, Tim Gruene)

[ccp4bb] Mosflm cover was: CCP4 cover over the Yuletide and Study Weekend periods

, Ballard, CC (Charles) wrote: Dear All I am afraid that there will be no cover from the CCP4 droids at Daresbury from 24 December until 2 January, with limited cover until 6 January. Here's wishing you all a Happy New Year Charles CCP4 core team Harry -- Dr Harry Powell, MRC Labor

[ccp4bb] information for study weekend attendees...

Hi folks I found some tourist advice for visitors to Nottingham in the New Year... http://news.bbc.co.uk/1/hi/england/nottinghamshire/7798194.stm Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] Mac pro

rt Office documents, although I don't know how robust this is. -Nat Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] imosflm in ccp4 6.1.0 in linux problems

if 1.3 img::jpeg 1.3 can anyone tell me where I can download them or what other solutions to get imosflm to run properly? Thanks a lot Paula Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] imosflm in ccp4 6.1.0 in linux problems

l Evans wrote: What is this ccp4-others.setup? I don't have it in my working 6.1.0 installation (built from source) Phil On 7 Jan 2009, at 11:50, Harry Powell wrote: Hi folks We have had a good look at this at Mosflm HQ now on Linux. The CCP4 TclTk++ distribution seems to work okay,

Re: [ccp4bb] Issue on MOSFLM 7.0.4 with image collected on NOIR detector

University of Colorado Department of Chemistry and Biochemistry UCB 215 Boulder, CO 80309 USA tel: + 1 (303) 735-6338 fax: + 1 (303) 492-6194 e-mail: quentin.vic...@colorado.edu Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] images

UK Fax: +44-(0)1223-366889 * * * ======= Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] images

ociated with each set of images I suspect it would be hard to reproduce sensible results. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] imosflm STARTDIR

l Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom -- Scanned by iCritical. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] mosflm and hkl2000

e 2 GB. Anyway, even if (i)mosflm looses orientation, it should complain and not crash. Thanks, Marius Dr.habil. Marius Schmidt 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.ed

Re: [ccp4bb] mosflm and hkl2000

le to specify an expected value for all cases. On 31 Jul 2009, at 10:15, Harry Powell wrote: Hi Marius We have a little internal project where we want to compare the quality of data reduced with HKL2000 and IMOSFLM (mosflm) to 1.3 A. Unfortunately, imosflm with its standard settings crashes alway

Re: [ccp4bb] citation for MOSFLM

h the same and apologize for this but just couldn't find the information on the web so had to resort to this. Thanks, neeraj Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] citation for MOSFLM

same and apologize for this > > but just couldn't find the information on the web so had to resort > > to this. > > > > Thanks, > > neeraj > > Harry > -- > Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills > Road, Cambridge, CB2 0QH 使用新一代 Windows Live Messenger 轻松交流和共享！ 立刻下载！ Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] Distinguishing between P6(5)22 and P6(1)22

he absence of a molecular replacement model? Cheers. Rafael. No is the short answer.. If you have heavy atom data with anomalous scattering you will get better maps in one than the other.. Eleanor Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road,

Re: [ccp4bb] attachments

nauthorized amendment, and tampering, Astex Therapeutics Ltd only 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 numbe

Re: [ccp4bb] Summary for "Anisotropic Diffraction In Refinement" question

he attention of the Anisotropy Server director (Michael Sawaya), who is now working to provide an option to omit steps 2 and 3 for users who do not what their structure factors modified. My thanks to everyone who responded to my original question, and to Dale Tronrud and Michael Sawaya in par

Re: [ccp4bb] I compressed my images by ~ a factor of two, and they load and process in mosflm faster

which you may sustain as a result of software viruses which may be transmitted in or with the message. Diamond Light Source 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 Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] iMosflm indexing error

gResults" body line 55) invoked from within "[.c component indexing] processSpotfindingResults $dom" (object "::Mosflm::m" method "::Mosflm::processMessage" body line 92) invoked from within "::Mosflm::m processMessage" (in namespace inscope "::Mosflm" script line 1) invoked from within "namespace inscope ::Mosflm {::Mosflm::m processMessage}" Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] gpp4 version 1.2 released

ent official release. The most important new feature is that gpp4 now supports the CCP4 library's FORTRAN API. This means that the programs REFMAC (version 5.6.0031) and MOSFLM (version 7.0.6), Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] Using own orientation matrix with imosflm.

it with imosflm? I add the matrix file under 'Images', but I cannot integrate. Thanks FR - Francis Reyes M.Sc. 215 UCB University of Colorado at Boulder gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D 8AE2 F2F4 90F7 9640 28BC 686F 78FD

Re: [ccp4bb] iMosflm bug?

a picture of what it looks like. > > https://www.dropbox.com/s/muwblcgohhxu94c/iMosflm-cut-off.png > > Thanks, > Thomas Cleveland > Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] iMosflm bug? - SOLVED

scroll over so that I can enter them. I've attached link to a picture of what it looks like. https://www.dropbox.com/s/muwblcgohhxu94c/iMosflm-cut-off.png Thanks, Thomas Cleveland Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis

Re: [ccp4bb] Where to cut the data in this medium resolution dataset

le by eye >> and the edge of the detector is about 2.8A. The crystals were 10x20x50 um in >> size and spacegroup is P6522. >> >> Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] Error running Pointless in CCP4-6.3 OSX (10.8)

lding 77, Wellington Rd, Clayton >> Victoria, AUSTRALIA 3800 >> T + 61 3 9902 9309 | F + 61 3 9902 9500 >> E sheena.mcgo...@monash.edu | Skype s.mcgowan >> W http://www.med.monash.edu.au/biochem/staff/mcgowan.html >> >> Australian Society for Biochemistry an

Re: [ccp4bb] Data processing - twinned xtals

> on whether this data is even useful. Also, I would really appreciate if > someone could share their experiences on solving twinning issues during > crystal growth > > Thanks in advance ! > > Mahesh Harry -- ** note change of address ** Dr Harry Powell, MRC Laborator

Re: [ccp4bb] Error with iMosflm 1.0.7 of CCP4 6.4.0 kit

= = All Things Serve the Beam == = David J. Schuller modern man in a post-modern world MacCHESS, Cornell University schul...@cornell.edu Harry -- ** note change of address ** Dr Harry Powe

Re: [ccp4bb] strange unit cell

cultural Biotechnology > College of Agriculture & Life Sciences > Seoul National University > Seoul 151-921, KOREA > > Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH

Re: [ccp4bb] A photograph of the Arndt-Wonacott rotation camera?

Tel: +44-(0)1223-353033 * > * Cambridge CB3 0AX, UK Fax: +44-(0)1223-366889 * > * * > === Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Ave

Re: [ccp4bb] bluetooth monitor

e or > incomplete, or contain viruses. The sender therefore does not accept > liability for any errors or omissions in the contents of this message, which > arise as a result of e-mail transmission. If verification is required please > request a hard-copy version. Please send us by fax

Re: [ccp4bb] How to show the ligands (both as sticks and sphere) as shown here in Pymol

t; at the same time. Does anyone happen to know how to display the ligand like > this? Thank you so much! > > Best, > Wei > > > Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus,

Re: [ccp4bb] making high res image in pymol

g > xxx.png, dpi=300 or dpi=600 command doesn't make any difference; the image is > still kind of low resolution for A0 or A1. Any idea how I can generate this > in pymol? (I am using the free version of pymol) > Thank you in advance, > Alex Harry -- ** note change of

[ccp4bb] new release of Mosflm & iMosflm version 7.1.0

th Rfree flags included. 13. QtRView replaces BAUBLES to present results from POINTLESS/ AIMLESS/TRUNCATE, so this no longer depends on a Web browser. 14. Multiple small bug fixes. Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Av

Re: [ccp4bb] High Rwork/Rfree vs. Resolution

Hi Kay means, of course, the ACA meeting in Albuquerque, not the IUCr in Montreal! Authors of the major processing packages will be competing for your attention... Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge

Re: [ccp4bb] Fwd: [ccp4bb] CCP4-6.4.0 source code building failed in Mac OS X 10.8.5

amage which you may sustain as a result of software viruses which may be > transmitted in or with the message. > Diamond Light Source Limited (company no. 4375679). Registered in England and > Wales with its registered office at Diamond House, Harwell Science and > Innovation Campu

Re: [ccp4bb] Fwd: [ccp4bb] CCP4-6.4.0 source code building failed in Mac OS X 10.8.5

you have a reason to build CCP4 from source? There are binaries > available for OSX. > > Best regards > Marcin > > Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

[ccp4bb] iMosflm update available - version 7.1.1

pmosflm...) is still 7.1.0 and this is compatible with iMosflm 7.1.1. This version will be included in the next CCP4 update, due any day now. Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridg

Re: [ccp4bb] jiffy for analyzing spot.xds?

gt; ------ Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] ipmosflm not connecting to XQuartz on Mac.

enough demand we will do our best to oblige (particularly if it’s a straightforward addition to the code…). -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge, CB2 0QH Chairman of European

Re: [ccp4bb] PyMol and Schrodinger

ke to hear if you have had the same experience and what you think about the Schrodinger policy. Best wishes, Mirek Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge, CB2 0QH Chairman of Eur

[ccp4bb] HKL2MAP & .sca files...

nything if the cell dimensions were included in the unmerged file? Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] error in starting imosflm

the latest CCP4 updates; that doesn't set things right. > > Please let me know how to re-configure iMosflm to run with ccp4-6.4. > > thanks & regards, > sreetama Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] error in starting imosflm

ng imosflm gives the > aforementioned error. After closing the imosflm GUI, if I type at the > terminal, I get the following: > > sreetama@sreetama-laptop:~/data $ $MOSFLM_EXEC > > > > > > > Mosflm version 7.0.9 for Image plate and CCD data 14th

Re: [ccp4bb] Pilatus and Strategy wrt Radiation Damage

at lowest exposure possible? JPK *** Jacob Pearson Keller, PhD Looger Lab/HHMI Janelia Farms Research Campus 19700 Helix Dr, Ashburn, VA 20147 email: kell...@janelia.hhmi.org *** Harry -- ** note change of address ** Dr Harry Powell,

Re: [ccp4bb] report mosaicity

; > Hongshi Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] data processing with XDS

sical Chemistry > Am Fassberg 11 37077 Göttingen > Germany > Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] baverage: no tables were found in this file

t;>>> >>>>> Hi CCP4, >>>>> >>>>> Recently when I input my pdb file and run the baverage in the ccp4 suit >>>>> to check the temperature factor, it always tell me "No tables were fund >>>>> in this file.&qu

Re: [ccp4bb] baverage: no tables were found in this file

> >>>> On 06/02/2014 10:16 PM, Wang, Bing wrote: >>>>> >>>>> Hi CCP4, >>>>> >>>>> Recently when I input my pdb file and run the baverage in the ccp4 suit >>>>> to check the temperature factor, it always tell

Re: [ccp4bb] According correct space group assignment...

Hi Rafal I think this is very important - > - I back to images. I tried to index it again under iMOSFLM. Of course, the > most probably solutions are identical with those from XDS, but predictions > don't cover all spots on images. In addition I observed two or three spots in > the line on so

Re: [ccp4bb] Practices for publishing a crystal structure

Hi Reza You could do a lot worse than starting here - > Curr Opin Struct Biol. 2015 Oct;34:60-8. doi: 10.1016/j.sbi.2015.07.003. Epub > 2015 Jul 24. > Assessing and maximizing data quality in macromolecular crystallography. > > Karplus PA, Diederichs K. > Harry -- Dr Harry

Re: [ccp4bb] libncurses.so.5 error with imosflm

/libncursesw.so.6.1 /usr/lib64/libncursesw.so.5 Harry -- Dr Harry Powell Chairman of European Crystallographic Association SIG9 (Crystallographic Computing) On 21 May 2018, at 03:21, Murpholino Peligro wrote: > Yes but that provides only the 32 bit library (look > https://superuser.com/que

Re: [ccp4bb] processing hd5 files from Dectris detector

re that the HDF5 files contain all the information so that the conversion programs can find it! Harry -- Dr Harry Powell Chairman of European Crystallographic Association SIG9 (Crystallographic Computing) On 31 May 2018, at 13:58, maveyrau wrote: > Hi CCP4ers > > we recently colle

Re: [ccp4bb] processing hd5 files from Dectris detector

dex >print(params['detector']) > KeyError: ‘detector' Harry -- Dr Harry Powell Chairman of European Crystallographic Association SIG9 (Crystallographic Computing) On 1 Jun 2018, at 07:21, Kay Diederichs wrote: > Hi Laurent, > > this prompte a couple of q

Re: [ccp4bb] processing hd5 files from Dectris detector

Hi Didier Sorry about that - my mistake - it's an Eiger 4M detector, so I guess that would be MASSIF-3. Harry -- Dr Harry Powell Chairman of European Crystallographic Association SIG9 (Crystallographic Computing) On 1 Jun 2018, at 13:09, Didier NURIZZO wrote: > Hi All, > >

Re: [ccp4bb] Joint CCP4 and ESF-EACBM Newsletter number 31

Hi I can't see it on the web but I have a hard copy on my bookshelf... Harry -- Dr Harry Powell Chairman of European Crystallographic Association SIG9 (Crystallographic Computing) On 11 Jul 2018, at 09:00, Pedro Matias wrote: > Dear CCP4ers, > > Is there a PDF version of

[ccp4bb] European Crystallographic Computing Forum

macromoecules! The price is 360€ or £320 including 4 nights accommodation, all meals, coffee/tea breaks & transfer to Oviedo for ECM31 at the end. Harry -- Dr Harry Powell Chairman of European Crystallographic Association SIG9 (Crystall

Re: [ccp4bb] tCNS and space group determination

't be optimistic. Harry -- Dr Harry Powell Chairman of European Crystallographic Association SIG9 (Crystallographic Computing) On 13 Aug 2018, at 08:59, Paul Adams wrote: > Hi Marcelo, > > based on this image it looks like you have multiple (two) lattices, which > puts spots ver

Re: [ccp4bb] crystals that dont diffract :( :(

situ facilities. There are those of us who would contend that if your sample doesn't diffract, then it isn't a crystal, no matter how nice it looks (though it might have been one once...)! Harry -- Dr Harry Powell Chairman of European Crystallographic Association SIG9 (Crystallographic Compu

Re: [ccp4bb] Issue with high Rfree (0.25) for a high-resolution dataset (1.05 Ang)

Hi As a referee, if I had been supplied with data processing statistics that indicate there is good information going to a higher resolution than that used for refinement etc, I would want to know why the data had been cut off. "Making life easier" wouldn't cut the mustard, I'm afraid! Clearl

Re: [ccp4bb] Issue with high Rfree (0.25) for a high-resolution dataset (1.05 Ang)

Hi I forgot something - "paired refinement" is the current gold standard for determining a sensible resolution cut-off (see other ccp4bb discussions on the topic). On 10 Oct 2018, at 11:49, Harry Powell wrote: > Hi > > As a referee, if I had been supplied with data process

Re: [ccp4bb] VERY old mtz file..

Hi Weren't the CCP4 base-level routines re-written from FORTRAN to C sometime in the late 1990's? Very occasionally I used to find bugs that had been introduced in this process (or possibly not corrected...) so it's possible that Eleanor's file might be readable with a really old code base. BT

Re: [ccp4bb] VERY old mtz file..

referred to read an old DAT tape, I may be able to build a copy of CCP4 from 1993... but that's a problem for another day (anyone got a SCSI DDS drive I could plug into a VAX?). On 14 Nov 2018, at 10:25, Eleanor Dodson wrote: > Here is the file I was trying to read - please feel fre

Re: [ccp4bb] buying a cluster

Hi For X-ray diffraction image processing, both XDS and DIALS can use multi cpus. For cryo-EM, Relion can run on multi-cpus, but can also make good use of GPUs, so don't forget this as an option if you're going over to the "dark side"... On 23 Nov 2018, at 10:30, V F wrote: > Dear all, > Whic

[ccp4bb] photograph of Enraf-Nonius FAST detector

HiI was wondering if anyone out there has a decent-quality photograph of an Enraf-Nonius FAST detector that I could use? I believe that one was installed at SRS Daresbury in 1983... Harry--Dr Harry Powell To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk

Re: [ccp4bb] photograph of Enraf-Nonius FAST detector

Elspeth > > Sent from my iPhone > > On 27 Nov 2018, at 12:35, Harry Powell > <193323b1e616-dmarc-requ...@jiscmail.ac.uk> wrote: > >> Hi >> >> I was wondering if anyone out there has a decent-quality photograph of an >> Enraf-Nonius FAST det

Re: [ccp4bb] photograph of Enraf-Nonius FAST detector

lection.sciencemuseum.org.uk/search?q=Enraf-Nonius%20Weissenberg%20X-ray%20camera%2C%20model%20Y809%2C%20(X-ray%20diffraction%20camera) > > Ben > > > > On 27 Nov 2018, at 12:48, Harry Powell > <193323b1e616-dmarc-requ...@jiscmail.ac.uk> wrote: > > Hi

Re: [ccp4bb] photograph of Enraf-Nonius FAST detector

y. I want to thank Thierry Prangé for sending > me this picture during the summer. > > > With best wishes, > > Gerard. > > -- > On Tue, Nov 27, 2018 at 12:48:07PM +, Harry Powell wrote: >> Hi Elspeth >> >> That's brilliant

Re: [ccp4bb] FW: [ccp4bb] old data - headers

Hi This looks like it was on beamline 7.2 (which had a fixed wavelength of 1.488Å, according to an article written by Liz Duke - see https://www.ccp4.ac.uk/newsletters/newsletter37/11_beamline14.html); I can't remember if detector 421 was a Q4 or a Q4R, but (again, according to the same articl

Re: [ccp4bb] AW: [ccp4bb] pseudo internal symmetry

Hi One way to test if the data processing software has imposed too much symmetry is to actually look at the images themselves using one of the processing packages, or process in a lower symmetry and use "viewhkl" (or even "hklview" if you're old-fashioned...) to view sections of the integrated

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] High Rfree - ice ring

should not be any need to process the data twice, once for the low resolution data and once for the high. Harry--Dr Harry Powell To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 BEGIN:VCARD VERSION:3.0 N:Po

[ccp4bb] W. Friedrich's thesis title

as wondering if anyone out there actually knows what it was? I've had a search on the LMU library website, but can't find the thesis indexed there...The English translation is "Emission by a platinum target". Harry--Dr Harry Powell To unsubscribe from the CCP4BB li

Re: [ccp4bb] W. Friedrich's thesis title

ularly at that time, when things were moving very quickly!) can be a very long time! On 10 Jun 2019, at 11:07, Harry Powell wrote: > Hi folks > > I've been trying to track down the title of Friedrich's (of Friedrich and > Knipping fame) 1911 thesis at Ludwig-Maximilian

Re: [ccp4bb] W. Friedrich's thesis title

ysiker) > > Maybe it wasn't deposited in the library until 1912. > > Dan > > Get Outlook for Android > > From: CCP4 bulletin board on behalf of Harry Powell > <193323b1e616-dmarc-requ...@jiscmail.ac.uk> > Sent: Monday, June 10, 2019 6:18:30 AM > T

Re: [ccp4bb] W. Friedrich's thesis title

X-Strahlen, die von einer Platina Antikathode ausgehen.", so my original translation was only partly correct. Harry -- Dr Harry Powell To unsubscribe from the CCP4BB list, click the following link: https://www.jis

[ccp4bb] European Crystallographic Computing Forum 2019 in Melk, Austria

registration fee (250 €) includes: accommodation (3 nights), full board and refreshments and transfer to the ECM. We offer childcare and family rooms. Bursaries are available. We hope to see you there! The Organisers Harry Powell, Martin Lutz and Andrea Thorn We would like to thank our kind

Re: [ccp4bb] European Crystallographic Computing Forum 2019 in Melk, Austria

Dear all Sorry, there's a typo in my previous mail - the registration fee is 200 €, not 250€... Harry On 17 Jun 2019, at 13:57, Harry Powell wrote: > Dear all, > > Registration for the European Crystallographic Computing Forum is open: > > http://www.cryst.chem.

Re: [ccp4bb] stop

Or follow the link that appears at the bottom of all messages from the BB? (Hint: the one that starts “To unsubscribe from the CCP4BB list…” Harry > On 9 Aug 2019, at 10:32, Eugene Osipov wrote: > > Ewa, > send the message 'unsubscribe ccp4bb' to the lists...@jiscmail.ac.uk >

Re: [ccp4bb] Proper detwinning?

look at the results of indexing, and the processing that led up to the MASKIT error? Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge, CB2 0QH Chairman of European Crystallographic Association

Re: [ccp4bb] moleman2 install problem

Hi Mark Unless you've done something very odd, Snow Leopard binaries should be compatible with Mavericks (and Yosemite, too, when you get to try that). Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical C

Re: [ccp4bb] Fwd: ipmosflm from ccp4-6.4.0 read image 0 error

hi That's odd. Can you send me the script that you are using (off-bulletin-board), and maybe access to the image and I'll do what I can to help. Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedi

Re: [ccp4bb] software/web server to determine ligand volume

ligand coordinates are provided? Google seems to come up only with options to calculate protein cavity volume. Thanks in advance, Sreetama Das, phd student, Physics, IISc Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge

Re: [ccp4bb] Twinning in space group Pc

ther suggestions are most welcome? Thank you very much Kristof Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge, CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] software for powder pattern

m not anymore. i will mainly need it for refinement for my compounds Thanks very much Nancy Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge, CB2 0QH Chairman of European Crystallographic Associ

Re: [ccp4bb] Problems about i

uot;Integration"). HTH Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge, CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing) > On 26 Aug 2014, at 16:51, 陈昂 wrote: > >

Re: [ccp4bb] Problems about i

hi Jacob You'd have to ask Phil Evans for the definitive answer, but my understanding is that it's a tribute to the developers of an integration and scaling package which isn't distributed by CCP4 (and which doesn't come from the MPI either). Harry -- Dr Harry Powel

Re: [ccp4bb] Prediction of Mosaicity

is not over or under estimated. Appreciate your feedback. Regards, Sze Yi Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge, CB2 0QH Chairman of European Crystallographic Association SIG9 (Crystallographic Computing)

Re: [ccp4bb] I222 - P22121 space-group ambiguity

oup, a region of the molecule > that is of biological interest makes NCS-related crystal contacts that are > crystallographic-symmetry related in I222. > > Has anybody observed similar cases? I would appreciate comments. > > Cheers, > > Florian > > Harry -- D

Re: [ccp4bb] merging anisotropic datasets

es for dealing with strongly > anisotropic data? > > Bob > > > Robert Keenan > Associate Professor > Dept. of Biochemistry & Molecular Biology > GCIS W238 > University of Chicago > 929 East 57th Street > Chicago, IL 60637

Re: [ccp4bb] how to dump diffraction image header info?

a diffraction image file. > CCP4 diffdump is a good tool, though it outputs the same angle > for both oscillation start and end for .cbf image. (bug?) > > Are there any other tools to get diffraction image header info? > > Regards > > - > Takaaki Fukami (mai

Re: [ccp4bb] Intensities and amplitudes

" rather than a "14% structure", even though the model (and experimental details) are identical. So I don't think this is a show-stopper. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge, CB2 0QH Ch

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