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 > wrote: > > Hi Almuda, > i

Re: [ccp4bb] Powder diffraction database

From memory, I’d look at the ICSD first; I think it’s got lots of powder information. From what I remember, CSD is entirely single crystal (though there might be some powder structures there), and is not what many people would call “publicly available”. You may or may not have some luck lookin

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

perly. >> Anyone has encountered this before and has any ideas on how to get >> around/fix this? >> Thanks a lot! >> Yuri >> > > Harry > -- > Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, > Cambridge, CB2 0QH > Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

[ccp4bb] iMosflm version 1.0.6 & Mosflm version 7.0.8

the appropriate image. Files can be read from the main Session menu item 'Read spots file...' and from the 'Read spots file...' button (with an open file icon) next to the 'Index' button in the Autoindexing pane. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

[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?

Physiology and biochemistry College of Biological Sciences China Agricultural University No.2, Yuan Ming Yuan West Road Haidian District, Beijing, China 100193 Tel: +86-10-62732672 E-mail: xinghua...@126.com Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

[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

images for movies. >> >> On 8 Dec 2010, at 05:31, Keitaro Yamashita wrote: >> >>> Dear all, >>> >>> I would like to make a picture of diffraction photograph with (hkl) indexes. >>> >>> I found it in Fig. 1 in the paper: Acta Cryst. (

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

0 0 > > !FRIEDEL'S_LAW=FALSE !Default is TRUE. > > > > > However indexed cell parameter for a b and c is small and error information > indicates that cell solution is not accurate. I suspect that I need to > change some input parameters besides selection of ORGX=3072.0 ORGY=3072 when > using XDS as the template is for ADSC Q105. > > Here I want to know if anyone has experience to use XDS to process data > collected at Q315r and what error I made for using this script. > > Thank you very much for any suggestion. > > Best regards, > > Donghui > Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

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

I wrote matrix, symmetry and mosaic spread information in the input file!) > > Or, how can I get the predictions on the images in command line? > > Thank you very much, > > K. Yamashita > > 2010/12/9 Harry Powell : >> Hi Keitaro >> >> You should get the predic

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

extension either. Many, many bug fixes and better communications with iMosflm. Harry, Andrew & Owen -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

[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?

t; Thanks for your help and insight, > -Andy > > > = > Andrew T. Torelli, Ph.D. > Department of Chemistry & Chemical Biology > Baker Laboratory, Cornell University > Ithaca, NY 14853-1301 > = > > > Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

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)

dline fo abstract submission: April 28" > > (no doubt to enable everyone to work until the last minute prior to the > royal wedding ...). Can you confirm? > > > With best wishes, > > Gerard. > > -- > On Fri, Apr 15, 2011 at 11:39:14AM +0100, H

[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] Beta test versions of Mosflm & iMosflm

ase. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH http://www.iucr.org/resources/commissions/crystallographic-computing/schools/mieres2011

[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

checkbox to allow use of overloaded reflections in detector refinement * Mac OS X App - drag and drop into your Applications folder and it should run like a normal point-and-click application. Harry and Andrew -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

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?

> cluster: the disk I/O is the bottleneck. Now you could argue that we > should spread the load over more disks or maybe spend more on faster > disk controllers, but the whole point about disks is they're cheap, we > don't need the extra I/O bandwidth for anything else, and yo

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)

d Hughes Medical Institute > Dept of Molecular and Cellular Physiology > 279 Campus Drive, Beckman Center B173 > Stanford School of Medicine > Stanford, CA 94305 > ph: (650)-498-7111 Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

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

the display for different platforms. * a bug causing a crash which affected OS X Intel Macs with >= 2Gb RAM has been fixed Minor changes: * some annoying window placement has been addressed * removal of some confusing and irrelevant messages in the output. Harry -- Dr Harry Powell,

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

Re: [ccp4bb] .sfrm image files

gt; re-process the dataset. But HKL2000 is unavailable in my group and mosflm > seems can not handle this format. Can you tell me: > Which data process program can handle .sfrm format to survive the > re-processing of the data? > Thanks > YanMing > Harry -- Dr Harry Powell, MRC Labora

Re: [ccp4bb] anomalous signal

angen Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

[ccp4bb] number of MTZ files input to scaleit

it's okay with 20) but CAD will only let me put 9 datasets in an MTZ file. Do I have to run CAD twice (or more...) to get all my datasets together? Or is there some other way that I've missed? Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] diffraction images images/jpeg2000

and mature format that (I think) would be suitable for diffraction images. If anyone is up for experimenting, you can get a nice suite of tools from kakadu (just google kakdu + jpeg2000). Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

[ccp4bb] Release of Mosflm version 7.0.1 & iMosflm 0.5.3

(try starting with "imosflm --help") - the list will grow Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] Release of Mosflm version 7.0.1 & iMosflm 0.5.3

http://www.mrc-lmb.cam.ac.uk/harry/imosflm/downloads/imosflm.tcl NOTE that this is _not_ the file of the same name in the "src" folder. I've fixed this in the imosflm.zip file so any further downloads will not display this bug. Sorry about this! Harry -- Dr Harry Powell, MRC Labora

Re: [ccp4bb] mosflm and APS BM17

!SIZE 2048 2048 !PIXEL 0.07934 Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] diffraction images images/jpeg2000

ded would be correlated across the image and would therefore affect the background statistics in a non-trivial way. Although the intensity measurements may not be badly affected the error estimates on them could be... Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] diffraction images images/jpeg2000

arguments! With best wishes, Gerard. -- On Fri, Aug 24, 2007 at 01:20:29PM +0100, Harry Powell wrote: Hi Lossy compression should be okay, provided that the errors introduced are smaller than those expected for counting statistics (assuming that the pixels are more-or-less indep

[ccp4bb] Mosflm v 7.0.1 Mac Intel pre-built executable.

7;ve been stymied in your attempt to run it by being told that /sw/lib//gcc4/lib/libgfortran.1.dylib doesn't exist, it is probably worthwhile downloading this new executable. have a nice weekend! Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] ipmosflm

ra 7). I got the following error message when I try to run it: $./mosflm_linux_suse_SD mosflm_linux_suse_SD: error while loading shared libraries: libg2c.so.0: cannot open shared object file: No such file or directory It might not related to the program. However, please advise. Thx. Eric Har

Re: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's

Of course, you may need to re-index even if you have the right space group... Offering a selection of space groups compatible with a point group will not require reindexing. Some point groups of course permit reindexing, but one hope you have chosen a consistent set as you combine data sets i

[ccp4bb]

900 E. Kenwood Blvd. Milwaukee, WI 53211 phone: +1-414-229-4338 email: [EMAIL PROTECTED] http://users.physik.tu-muenchen.de/marius/ Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] Anisotropic data - How to deal with ?

M647, D-78457 Konstanz Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] To bathe or not to bathe.

Research Resource at NSLS not 1) http://px.nsls.bnl.gov/ Biology Dept Brookhaven Nat'l Lab. Phones: Upton, NY 11973631 344 3401 (Office) U.S.A. 631 344 2741 (Facsimile) =

[ccp4bb] ccp4i integration task

l be gratefully received! Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] ccp4i integration task

Many thanks to everyone who took the time to reply! It will all be very helpful. On 27 Nov 2007, at 11:59, Harry Powell wrote: Hi folks Can you reply directly to me rather than ccp4bb? I was wondering how many people out there actually use the "integration" task in ccp4i? We&#x

Re: [ccp4bb] Mosflm and compressed images

), or used one of the img-CIF compression methods, it would be done automatically by Mosflm. Dear All, I was wondering if there is some king of trick that would allow to use a compressed diffraction image during data processing. Best wishes, Andrzej Lyskowski Harry -- Dr Harry Powell, MRC

Re: [ccp4bb] scale data with multiple MTZ files

iversity Presidential Scholar Department of Chemistry Colgate University 13 Oak Drive Hamilton, NY 13346 tel: (315)-228-7245 ofc: (315)-228-7395 fax: (315)-228-7935 email: [EMAIL PROTECTED] Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB

Re: [ccp4bb] x ray data sets for teaching

Street phone: 608-363-2743 Beloit, WI 53511 FAX: 608-363-2052 Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] Calculating volume of Ligands

2008, at 21:39, Rajan Pillai wrote: Hi All, Can anyone tell me any program that calculates voume of a ligand? Moreover, is there also any program that can calculate the volume of a ligand from its coordinates? Thanks, Rajan. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biol

[ccp4bb] New versions of Mosflm and iMosflm

orward and Control-G searches backwards Harry & Luke -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] 3D Glasses - Vuzix HMD by eDimensional

the cries) to make sure you have enough light reflected from the "horizontal" monitor to be about the same as the light transmitted from the vertical one. On 4 Feb 2008, at 12:09, Harry Powell wrote: Hi Just looking at the diagrams, I don't think the glass is half-silvered

Re: [ccp4bb] 3D Glasses - Vuzix HMD by eDimensional

cam.ac.uk email: [EMAIL PROTECTED] Helping your favorite cause is as easy as instant messaging. You IM, we give. Learn more. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

[ccp4bb] new versions of Mosflm (7.0.3) and iMosflm (0.6.1)

imosflm/ Harry & Luke -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

[ccp4bb] Missing fonts...

FC8 is not including all the Courier fonts; since I don't have an FC8 machine handy, could anyone here offer advice about the best way to install these?  Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 2QH

Re: [ccp4bb] problems about installation of mosflm701

AGS "-O3 -align -w90 -cm" # export MOSFLAGS "-O3 -align -w90 -cm -prof_gen" this line for profiling only # export MOSFLAGS "-O3 -align -w90 -cm -prof_use" & change $F77 etc to include "-ipo" flag export MCFLAGS "-O0" export MOSLIBS

Re: [ccp4bb] is it Ok to freeze

stly? -- S.Jayashankar (A bit confused 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] is it Ok to freeze

tion in B factors, reduction in radiation damage, anything else? Colin -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of harry powell Sent: 19 June 2008 10:12 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] is it Ok to freeze Hi If you mean organic

Re: [ccp4bb] is it Ok to freeze

. On 19 Jun 2008, at 11:05, harry powell wrote: Hi Colin yes, both of those. Plus "freezing out" multiple conformations so you can model them properly - bear in mind that a small molecule structure at a resolution worse than 1Å would be challenging to get past the normal cri

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