Re: [ccp4bb] reindexing monoclinic data

inux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ iD8DBQFOV8MbUxlJ7aRr7hoRApbGAKD7kSUGiz9jYT9B51YVjraSMxzulQCdFyt+ MiTKc3vKUFvj140JsybDQN8= =aiWT -END PGP SIGNATURE- Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] data processing problem with ice rings

iederichshttp://strucbio.biologie.uni-konstanz.de email: kay.diederi...@uni-konstanz.deTel +49 7531 88 4049 Fax 3183 Fachbereich Biologie, Universität Konstanz, Box 647, D-78457 Konstanz This e-mail is digitally signed. If your e-mail client does not have the necessary capabilities,

Re: [ccp4bb] newbie question about data processing

s installed separately) so I don't have pointless. I'm trying to get it installed now but if there is another way to rescale the batches with higher symmetry I would like to try it. Ed Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] Merging with CAD fails

What you are trying to do requires scaling/merging of two datasets - you should look at scala for that. HTH, Ed. -- Yuri Pompeu Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] Error running pointless/aimless in OSX 10.7

share/xtal/ccp4-6.2.0/bin/pointless Trace/BPT trap: 5 Any ideas? Thank you! Jose José Trincão, PhD RCaH - R92, Rutherford Appleton Laboratory, Harwell Didcot OX11 0FA "It's very hard to make predictions... especially about the future" - Niels Bohr Harry -- Dr Harry Powel

Re: [ccp4bb] mosflm and pilatus 2M

m the new Pilatus detector? I can visualize them and auto index but not refine the cell or integrate! Oh I’m using version 7.0.7 Cheers Dean Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] [OT] to CCP admin - CCP14 - who's in charge?

Lachlan's unfortunate demise. The last person in charge of the CCP14 website was William Bisson, but the contact link in the page goes to an uninformative site. Who might be in charge there or a responsive contact? Best regards, BR Harry -- Dr Harry Powell, MRC Laboratory of Molecul

Re: [ccp4bb] .CBF raw images in iMOSFLM- error

d not open the rest of the frames. Also it is not picking up the X and Y beam positions. It looks to me like its just simply not reading the image file HEADER properly. Anyone has encountered this before and has any ideas on how to get around/fix this? Thanks a lot! Yuri Harry -- Dr Ha

Re: [ccp4bb] mosflm : image-dependent mask?

use the default mask for beamstop shadow. AFAIK the only way to approach this is to ignore entire images in either scala or mosflm using various range/batch settings. -Bryan Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] iMosflm execution error

following link. I also have CCP4 ver. 6.1 and ActiveTcl ver. 8.4.19.3 installed and working (as far as I know) as per the instructions: http://www.mrc-lmb.cam.ac.uk/harry/imosflm/ver105/installation.html The only problem I encountered is that I had to correct pointers set up by my

Re: [ccp4bb] off-topic: Synchrotron look alike

ealed his plans for the new "Apple campus" (Apple headquarters) in Cupertino, California. Should look familiar to macromolecular crystallographers. Fred. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] Computer encryption matters

itory keeping such files. In anticipation, Thankyou, John Prof John R Helliwell DSc Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] BLT wish

25 PM, Harry wrote: Hi Bill I don't think this includes BLT, does it? No. That was what I was trying to say (apparently not very well, sorry!): On 17 Aug 2011, at 22:33, William Scott wrote: if CCP4 could free itself of this dependency... …then it could make use of the no-BLT vers

Re: [ccp4bb] xds process gave different cell parameters

Hi I think that even post-refining with high resolution data you are unlikely to refine reliably to the same value within 1 part in 10,000 if you are making small differences to your processing. The differences you have are what I would consider to be within experimental error, so I wouldn't worry

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

Regards, Jacob Keller *** Jacob Pearson Keller Northwestern University Medical Scientist Training Program Dallos Laboratory F. Searle 1-240 2240 Campus Drive Evanston IL 60208 lab: 847.491.2438 cel: 773.608.9185 email: j-kell...@northwestern.edu **

Re: [ccp4bb] software to represent raw reflections in hkl zones

a to give intensity distribution in distinct zones of hkl? Many Thanks for your help, Tillmann -- -- Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] Computational Crystallography Newsletter - Issue 1

0-486-4225, Fax: 1-510-486-5909 http://cci.lbl.gov/paul Lawrence Berkeley Laboratory 1 Cyclotron Road BLDG 64R0121 Berkeley, CA 94720, USA. Executive Assistant: Marian Harris [ mshar...@lbl.gov ] [ 1-510-486-6886 ] -- Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC C

Re: [ccp4bb] Data processing problem with mosflm

Hi Sampath That message should never appear during refinement; the popup is called from the autoindexing code in iMosflm, and once that process is completed successfully there is no way the code can call it - so there's obviously something very odd happening. Indexing appears to have succeeded (i.

Re: [ccp4bb] Oxford diff. emarald CCD images in mosflm?

rote: The mosflm user's manual says that mosflm has limited compatibility with images from Oxford saphire CCD detector. Is it written in more detail somewhere what this means? I would like to take images from the Oxford Xcalibur to process with mosflm. Ed Harry -- Dr Harry Powell, MRC Labora

Re: [ccp4bb] cl.exe

Just to second this, and point out that with Mingw cross compilers, you can build Windows executables on Linux or OSX that run on all versions of Windows from 95 to Vista... (and might even run on 3.1, but I don't have a 3.1 box to test on). > Have you considered gcc under MINGW? It produced more

Re: [ccp4bb] Computer hardware and OS "survey"

Hi Most of the software for macromolecular crystallography data analysis will run happily on Linux, OS X or Windows. However, Windows is much more GUI-based and much less open to shell scripting than UNIX based systems like Linux or OS X (DOS-Shell is very inflexible, even compared to sh or csh, l

Re: [ccp4bb] Computer hardware and OS "survey"

I used to have a Mosflm executable running under Cygwin. It ran just like it does on other platforms (as far as I can recall). So did the CCP4 I built. But the bash it (Cygwin) came with seemed to be incomplete, and the tcsh (that I prefer to use) also didn't seem to be implemented terribly well. T

[ccp4bb] Release of Mosflm version 7.0.5 and iMosflm 1.0.3

from - www.mrc-lmb.cam.ac.uk/harry/mosflm please feel free to download and play with the program. There are executables for Linux, OSX and MS-Windows, and I've built a new installer for Windows that might be easier to use. Essentially all of the work on these improvements in iM

Re: [ccp4bb] X-ray diffraction image --> .jpg

resolution image. I'm sure someone must have done this, but I haven't been able to find one. Thanks, Andy Torelli Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] What really happens in XDSCONV?

better. On 16 Feb 2014, at 19:26, Derek Logan wrote: Probably I will still be in too much of a hurry each time to make a meaningful and thorough comparison, but if time allows I will compare XDSCONV with pointless/scala. /Derek Harry -- ** note change of address ** Dr Harry Powell, MRC

Re: [ccp4bb] 18A rule reference

/about.me/tatum.nj PhD Researcher Pohl Group Durham University Harry -- ** note change of address ** Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge, CB2 0QH

Re: [ccp4bb] 2D and 3D profile in integration

one? References to any literature is highly appreciated. Thank you. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] Space group R32 and H32

and is there space after that? Or it does not matter because both are used in literature? Thank you. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] Various OSes and Crystallography

r on Mac/Linux. I wouldn't ever endorse trying to use Windows for serious scientific computing unless you need to run an application that won't work on any other OS, and as far as I know there isn't a single (macromolecular) crystallography program that falls into this categor

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] molecular replacement_protein-glycan complex

, I’d be interested in seeing the whole Pointless log, not just the précis. DISCLAIMER - I haven’t read this thread very closely so I might have missed something that someone else has brought up. Harry -- Dr Harry Powell > On 12 Nov 2019, at 07:56, herman.schreu...@sanofi.com wrote: > >

Re: [ccp4bb] AW: [EXTERNAL] [ccp4bb] 8/ 2263 spots indexed XDS

Hi everyone I should mention that DIALS is available (and the developers respond rapidly to any issues raised) and may also be able to do something useful with these images… Harry > On 2 Dec 2019, at 09:18, Schreuder, Herman /DE <mailto:herman.schreu...@sanofi.com>> wrote: &g

Re: [ccp4bb] Powder diffraction database

looking at COD (the Crystallography Open Database, not the demersal or pelagic fish of the same name….) How would you do it? Well, your googling skills are probably as good as mine, if not better. Harry > On 2 Dec 2019, at 09:51, Peer Mittl wrote: > > Could someone please give me some

Re: [ccp4bb] Mac OSX 10.7 Lion

w to get rid of the most annoying new features: http://sage.ucsc.edu/~wgscott/xtal/wiki/index.php/Lion_upgrade_notes All the best, Bill On Sep 9, 2011, at 1:28 AM, Phil Evans wrote: Is there any opinion or experience about whether Lion is ready for crystallographic use? Should I "u

Re: [ccp4bb] P21/n spacegroup

4 > D-37077 Goettingen > > GPG Key ID = A46BEE1A > > -BEGIN PGP SIGNATURE- > Version: GnuPG v1.4.11 (GNU/Linux) > Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ > > iD8DBQFOgdLcUxlJ7aRr7hoRAo5MAJ4vkVBVrMEpnNKmmiqi3IlUP2D5YACfZaFB > GVfWg

Re: [ccp4bb] Processing problem

o be clean. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] image compression

Hi > I am not a fan > of one-way computational processes with unique data. > > Thoughts anyone? > > Cheerio, > > Graeme I agree. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH http://www.iucr.o

Re: [ccp4bb] crystal orientation during data collection

So I need to merge >>> many crystal to obtain complete dataset, Does anyone know such program that >>> can tell crystal orientation after first frame exposure. >>> Thank you in advance. >>> >>> >>> -- >>> Thank you very much and all the best, >>> >>> Yanwu Huo >>> Postdoctoral Associate >>> Department of Molecular Biology and Genetics >>> Cornell University >>> Ithaca, NY, 14853 >>> Email:yh...@cornell.edu >>> >> >> >> >> Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] MERGING THREE DATASETS

back. Nevertheless, I can use some help! Thanks in advance, ARKO Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] Opinion on automation

r each step better for > learning? > > Thank you. > > Theresa Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] How to reduce R factor

iginal message.Any unauthorized review, use, disclosure, dissemination, forwarding,printing or copying of this email or any action taken in reliance on this e-mail is strictly prohibited and may be unlawful. Visit us at http://www.aurigene.com Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] processing data with ice ring

Thanks regards SHANTI PAL -- Sita Ram Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] Who is using 64-bit Linux?

ersity 13 Oak Drive Hamilton, NY 13346 tel: (315)-228-7245 ofc: (315)-228-7395 fax: (315)-228-7935 email: rrowl...@colgate.edu Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] Who is using 64-bit Linux?

h 32 and 64 bit enviroment. David -- David Aragao, PhD | Research Fellow - MX | Australian Synchrotron p: (03) 8540 4121 | f: (03) 8540 4200 | m: 0467 775 203 david.ara...@synchrotron.org.au | www.synchrotron.org.au 800 Blackburn Road, Clayton, Victoria 3168, Australia Harry -- Dr Harry Powell,

Re: [ccp4bb] Refmac executables - win vs linux in RHEL VM

09-7429 +43 (676) 571-0536 b...@ruppweb.org hofkristall...@gmail.com http://www.ruppweb.org/ - No animals were hurt or killed during the production of this email. --------- Harry -- Dr

Re: [ccp4bb] .CBF raw images in iMOSFLM- error

:43, Harry wrote: > Hi Yuri > > If you can put some of the images on our ftp site (instructions sent > separately) we'll have a look. There was a problem a while ago when some > Pilatus detectors changed from writing the distance in metres to writing it > in millimet

[ccp4bb] iMosflm version 1.0.6 & Mosflm version 7.0.8

.mrc-lmb.cam.ac.uk/harry/mosflm == In more detail (see http://www.mrc-lmb.cam.ac.uk/harry/mosflm/ver708/Release_notes for more) - Mosflm == Non-Bragg spots (eg zingers and hot pixels) and ice spots are now automatically removed when forming the standard prof

[ccp4bb] Fwd: Crystallographic Software Fayre (ECM27, Bergen)

ter for Biomolecular Research > Faculty of Science > Utrecht University > Padualaan 8 > 3584 CH Utrecht > The Netherlands > Tel. [+31] 030-2533902 > Fax [+31] 030-2533940 Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] how to ignore spot overlap in imosflm?

optimize your freezing to get the mosaicity as low as possible). For how to play with the mosflm parameters, please read here: http://www.mrc-lmb.cam.ac.uk/harry/cgi-bin/keyword2.cgi?SEPARATION. What you need is probably CLOSE. The hazard of high percentage of overlaps: If the overlaps a

[ccp4bb] Fwd: Crystallographic Software Fayre (ECM27, Bergen)

website is http://ecm27.ecanews.org/ On 11 May 2012, at 10:36, Harry Powell wrote: > Hi folks > > Any of you who are considering attending ECM27 in Bergen may be interested in > some of the sessions that have been arranged at this Software Fayre. > > The full list of M

Re: [ccp4bb] Regarding space group P1, P21

strains to protein structure but I am just curious to know one > restrain equals how many observations. > > I look forward to hear your suggestions. > > Kind regards, > > Mohinder Pal Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] High Rmerge with thin frames

ement. >> we did that for one crystal form, collecting 0.1, 0.2, 0.35, 0.5, 0.7, 1.0 >> from various crystals (with the same dose per degree, at SLS using a >> PILATUS, mosaicity 0.4-0.6) in an attempt to get better Se signal. We >> miserably failed to get any useful signal at

Re: [ccp4bb] High Rmerge with thin frames

d all who write and use scripts for processing Pilatus data with XDS. On 5 Nov 2010, at 18:33, Martin Hallberg wrote: Hi Harry, On Nov 5, 2010, at 5:45 PM, Harry Powell wrote: I think there may be issues with collecting data too finely with a Pilatus, even in shutterless mode. I don't k

Re: [ccp4bb] bruker smart and mosflm

ETECTOR keyword >> >> So my question is how do I figure out if this particular format is >> supported or not? >> >> Cheers, >> >> Ed. >> >> -- >> "I'd jump in myself, if I weren't so good at whistling." >> Julian, King of Lemurs >> >> Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] unusual diffraction spots

not > necessarily of Diamond Light Source Ltd. > Diamond Light Source Ltd. cannot guarantee that this e-mail or any > attachments are free from viruses and we cannot accept liability for any > damage which you may sustain as a result of software viruses which may be > transmitted in or with the message. > Diamond Light Source Limited (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] Problems with auto-indexing

the assistant professor of my laboratory and currently > submitted to the operation of Molucular Replacement. > > This confused me a lot. Is what I thought wrong? Or is the very crystal that > was indexed a special one? > > Thanks all > > chen > Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] Space group and R/Rfree value

ile with P212121 only to 26/30. Also Phenix points out that the crystal is probably a twin with P212121 but is OK with C2221. I am not a real crystallographer, perhaps this problem is stupid, any help will be appreciated!! Best wishes, Xiaopeng Hu Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] superposing (hkl) indexes on diffraction image

t; something) such like that? > > Thank you very much in advance, > > K. Yamashita Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] superposing (hkl) indexes on diffraction image

e's a very old script under our "FAQ" page for producing a series of images - see http://www.mrc-lmb.cam.ac.uk/harry/mosflm/FAQ.html#movie On 8 Dec 2010, at 14:54, Keitaro Yamashita wrote: > Dear Boaz and Harry, > > Thank you very much for your suggestions. > > As p

Re: [ccp4bb] How to use XDS programme to process data collected at Q315r detector

for the unit cell vectors if > ! known from a previous run using the same crystal in the same orientation > !UNIT_CELL_A-AXIS= > !UNIT_CELL_B-AXIS= > !UNIT_CELL_C-AXIS= > > !Optional reindexing transformation to apply on reflection indices > !REIDX= 0 0 -1 0 0 -1 0 0 -1 0

Re: [ccp4bb] superposing (hkl) indexes on diffraction image

-0.3043363 -0.7415902 -0.5978489 >> 62.0720 62.0720 62.0720 56.3041 56.3041 56.3041 >>0.000 0.000 0.000 and I get an image (converted to a jpg to reduce bandwidth hogging) - http://www.mrc-lmb.cam.ac.uk/harry/junk.jpg On 8 Dec 20

Re: [ccp4bb] Fwd: [ccp4bb] Wyckoff positions and protein atoms

e can download it and find out for themselves how it's done! > > Cheers > > -- Ian Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

[ccp4bb] Release of Mosflm 7.0.7 & iMosflm 1.0.5

Hi folks We are pleased to announce the release of the latest versions of Mosflm and iMosflm. They are available from our website at http://www.mrc-lmb.cam.ac.uk/harry/mosflm While we have concentrated on making the programs more robust and easier to use, there are also a number of

[ccp4bb] Crystallographic Computing School - Mieres, Spain

avoured regions. We are still finalising items such as the registration fee, but I expect to be able to make the website live by the end of January with more comprehensive details. Watch this space... Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, Hills Road, Cambridge, C

Re: [ccp4bb] iMosflm execution error - solved?

(running Ubuntu 10.10 (Meerkat). I've followed the > installation instructions at the following link. I also have CCP4 ver. 6.1 > and ActiveTcl ver. 8.4.19.3 installed and working (as far as I know) as per > the instructions: > > http://www.mrc-lmb.cam.ac.uk/harry/imosflm

Re: [ccp4bb] Regarding Indexing of data from two crystals in a loop

the two crystals in the >> loop. Can anyone suggest any strategy which I should take for indexing this >> dataset. >> >> Thanks, >> Pravin Kumar > Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] superposing (hkl) indexes on diffraction image

3.mat symm r3 image hg_001.mar1600 xgui on go predict_spots create_image type ppm prediction on binary true filename junk.ppm return exit Thanks to the anonymous user (still wearing shorts, even in February...) who pointed this out! On 8 Dec 2010, at 16:16, Harry Powell wrote:

Re: [ccp4bb] Strage image

consternation in the past! On 20 Feb 2011, at 13:46, Vandu Murugan wrote: Dear All, I mounted an aggregate with spikes on surface, that I saw in a well, and got a image attached with this. It has concentric rings.. What it could be? Any comments on it...? thanks, - Wandu Harry --

Re: [ccp4bb] strange density

ecules to "thing 1" is 4:1. Also looking at the images, I see no >>> ice rings -- the images look pretty good. Can you tell me more about >>> the series termination effects? >>> >>> Again thank you for your help and I'll let the group know how it wor

Re: [ccp4bb] strange density

Hi folks Whoops, brain not engaged before hitting "send". Lewis acid/bases are to do with electron-pair donor/acceptance, Brønsted acid/bases with protons. So my second two paragraphs define things the wrong way round. I need a coffee... On 25 Feb 2011, at 10:49, Harry Powell wr

Re: [ccp4bb] Crystallographic Computing School - Mieres, Spain

edo, about 20km up the road. On 8 Jan 2011, at 11:33, harry powell wrote: Dear all Those of you who attended the CCP4 Study "Weekend" at Warwick University this week (either in vivo or in silico), and who stayed to the end will remember Roberto Steiner's suggestion that some of

Re: [ccp4bb] X-Ray films

ltants 5 Brewster Lane, Bellport, NY 11713-2803 * * *** *Frances C. Bernstein * *** f...@bernstein-plus-sons.com *** * * *** 1-631-286-1339FAX: 1-631-286-1999 ========= Harry -- Dr Harry Powell, MRC L

Re: [ccp4bb] xds question: inverse beam, lots of wedges

parately, but with 24 > wedges per xtal, this is starting to look a little tedious. > > Cheers, > Pat Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] XXII IUCr Congress and General Assembly - Madrid (Spain)

Consejo Superior de Investigaciones Científicas > Spanish National Research Council > www.csic.es > > Harry -- Dr Harry Powell Chairman ECA SIG9 (Crystallographic Computing) Acting Chairman IUCr Commission on Crystallographic Computing http://www.iucr.org/resources/commissions/crystallographic-computing/schools/mieres2011

Re: [ccp4bb] XXII IUCr Congress and General Assembly - Madrid (Spain)

Hi Gerard Sorry - what Royal Wedding? On 15 Apr 2011, at 11:48, Gerard Bricogne wrote: > Dear Harry, > > Thank you for the reminder. Upon connecting to the URL given in > Martin's e-mail, however, one immediately gets a pop-up saying: > > "New dea

[ccp4bb] Fwd: IUCr 2011 - AUGUST 22 - 30

ards. The Local Organizing Committee  IUCr 2011 TECHNICAL SECRETARIAT:GRUPO PACIFICO Paseo General Martínez Campos, 44, 1º28010 Madrid - SPAIN Tel.  (34) 913.836.000  ext. 127Fax. (34) 913.023.926iucr2...@pacificio-meetings.comwww.iucr2011madrid.es   Harry--Dr Harry Powell, MRC Laboratory of Molecular 

Re: [ccp4bb] Mosflm problem with CBF file

> lu...@mrc-lmb.cam.ac.uk > > Thank you. > > > Please help! > > Thanks, > > Allan > > > > -- > Allan Pang > > PhD Student > > G35 Joseph Priestley Building > Queen Mary University of London > London > E1 4NS > > Phone

Re: [ccp4bb] Crystallographic Computing School - Mieres, Spain

hools/mieres2011 Unfortunately we have no more bursaries! On 2 Mar 2011, at 18:24, harry powell wrote: > Dear all > > The registration website is now live - see > > > http://www.iucr.org/resources/commissions/crystallographic-computing/schools/mieres2011 > > We had to

[ccp4bb] rosetta/ubuntu

ot; . I want to know whether anybody had any experience install rosetta in ubuntu? Or do I need to change to a different linux distribution? If so, what linux distribution is best for running most of the main stream crystallography software? thanks in advance.   Harry

[ccp4bb] Beta test versions of Mosflm & iMosflm

Dear all New versions of ipmosflm (7.0.8) and the matched iMosflm (1.0.6) are now available for beta testing. http://www.mrc-lmb.cam.ac.uk/harry/mosflm/betas/index.html The changes in ipmosflm are of particular relevance to processing very weak Pilatus images (with background pixel

[ccp4bb] Fwd: [ccp4bb] Beta test versions of Mosflm & iMosflm

traight there if you use the URL ftp://ftp.mrc-lmb.cam.ac.uk/pub/pre/ Note that he doesn't have a Windows build... Begin forwarded message: From: Phil Evans Date: 8 July 2011 17:27:43 BDT To: Harry Powell Subject: Re: [ccp4bb] Beta test versions of Mosflm & iMosflm I note you reco

Re: [ccp4bb] Potential Space Group Issue

l Research Associate, Brigham and Women's Hospital Visiting Research Scholar, Brandeis University -- -- Raji Edayathumangalam Instructor in Neurology, Harvard Medical School Research Associate, Brigham and Women's Hospital Visiting Research Scholar, Brandeis Unive

Re: [ccp4bb] hkl2map on Mac OSX 10.6

>> >>> >> >> Roberto Steiner, PhD >> Randall Division of Cell and Molecular Biophysics Group Leader >> King's College London >> >> Room 3.10A >> New Hunt's House >> Guy's Campus >> SE1 1UL, London, UK >>

Re: [ccp4bb] how to estimate the error of unit cell parameters

te the errors of unit cell parameters of crystal? Thank you very much! Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, Hills Road, Cambridge, CB2 0QH

[ccp4bb] Release of Mosflm version 7.0.6 and iMosflm 1.0.4

Hi folks We are pleased to announce the release of Mosflm 7.0.6 and iMosflm 1.0.4; they are available from our website at http://www.mrc-lmb.cam.ac.uk/harry/mosflm Note the following: (1) These supercede all previous versions. (2) They are not the same as the versions with the same

Re: [ccp4bb] Release of Mosflm version 7.0.6 and iMosflm 1.0.4

by typing "md5sum " at a Linux command prompt) This problem does not affect any other executables (i.e. Linux 64- bit, Linux built with gfortran, OSX and Windows versions are all fine). Apologies the 120 people who downloaded the broken copies! On 2 Feb 2010, at 16:55, Harry Powell w

Re: [ccp4bb] Display x-ray images in windows

y know a program to display x-ray (.img) data images in windows? > > Thanks, > > P. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

[ccp4bb] X-Ray films

27;d guess it should be "favorite"... I'm a little tired, but the only one I can think of at the moment is actually based on results from fibre diffraction - "Life Story", with Jeff Goldblum. There must be others, though. Harry -- Dr Harry Powell, MRC Laborato

Re: [ccp4bb] Processing compressed diffraction images?

MOSFLM & XDS) for reading compressed diffraction > images from synchrotrons. AFAICS XDS has limited support for reading > compressed images (TIFF format from the MARCCD detector and CCP4 > compressed format from the Oxford Diffraction CCD); MOSFLM doesn't > seem to support

Re: [ccp4bb] mosflm in script mode

h s/n > > > scanner adsc > strategy auto > stats on > go > end > exit > eof > > > -- > Jan Abendroth > Emerald BioStructures > Seattle / Bainbridge Island WA, USA > home: Jan.Abendroth_at_gmail.com > work: JAbendroth_at_embios.com > http://www.emeraldbiostructures.com > > > > > > Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] Scaling question

someone could tell me how mosflm and scala deal with overloaded reflections. From my understanding mosflm extrapolates the overloaded peaks but then scala throws them out completely - is this right? If so am I right to not worry about "contamination" from extrapolated peaks when combining high and low resolution datasets from the same crystal? Thanks Simon Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] Anisotropic data and an extremely long c axis

opic data occur? The protein I work with has a tetragonal sg with a=b= 86.0 and an extremely long c axis of 651 A. Secondary Structure prediction suggest a lot of beta strands. How can I explain the anisotropy (for my own interest and my thesis)? Thank you very much. Marie Harry -- D

Re: [ccp4bb] imosflm conflict with mosflm (OS X/fink 32-bit)

ists/unstable/main/binary-darwin-i386/sci/imosflm_1.0.4-3_darwin-i386.deb > ### execution of /sw/bin/dpkg-lockwait failed, exit code 1 > Failed: can't install package imosflm-1.0.4-3 > > -- > Engin Özkan > Post-doctoral Scholar > Laboratory of K. Christopher Garcia > Howar

Re: [ccp4bb] How to make fft-map more physically meaningful?

ne of the key > moments when developping electron density histograms (see for example Lunin, > 1988, Acta Cryst A). Moreover, these points even contain some information and > can be used for example to identify the macromolecular region (since the > deepest minima are usually close to the h

Re: [ccp4bb] imosflm on MAC OSX

Dr. Martin Martinez-Ripoll Research Professor xmar...@iqfr.csic.es Department of Crystallography & Structural Biology www.xtal.iqfr.csic.es Consejo Superior de Investigaciones Científicas Spanish National Research Council www.csic.es Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] iMosflm 1.0.4 - font size

big actually, and I'd like to reduce them) Thank you very much Sincerely Kristof Van Hecke --- Kristof Van Hecke, PhD Biomolecular Architecture Celestijnenlaan 200F 3001 Heverlee (Leuven) Belgium --- Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] stereo (again - sigh)

| Software Sysadmin | > | Structural Biology Grid | http://sbgrid.org | > | Harvard Medical School | http://hms.harvard.edu | Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] relation between wavelength and inter-atomic distances

> Phone: (351)-214469666 > FAX:(351)-214433644 > e-mail: [EMAIL PROTECTED] > www.itqb.unl.pt > Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

[ccp4bb] Error on iMosflm download page (OS X Intel only)

treectrl 2.1 I've now fixed the link so that the correct file should be referenced. My apologies for any difficulties this may have caused. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

[ccp4bb] iMosflm 0.5.2 available now

: http://www.mrc-lmb.cam.ac.uk/harry/imosflm ** Note that if you have downloaded iMosflm 0.5.2 in the last two weeks, this is the same version so there is no need to repeat the download. This fixes most of the bugs that people have brought to my attention, and several others which no-one has reported

Re: [ccp4bb] CCP4 GUI

have been input by the user, who is assumed to "know better". If an interface (e.g. ccp4i) sets the value to a default, the program really has no way of knowing that it was the interface and not a user who knows their data which has input the value. Just my two ha'porth... Harry

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