Re: [ccp4bb] Regarding the correct space group identification

Dear Sayan, For interest, the only other example I know of where diffraction images show two different space groups is presented in a paper by Zbyszek Dauter et al, Acta Cryst D61, 967-975, 2005, where crystals of the proteolytic domain of Lon contained superimposed

[ccp4bb] Spam email after sending mail to ccp4bb

Every time I send an email to ccp4bb, I get a spam email from 295981...@qq.com that consists of a single line of Chinese (Japanese) characters, is anyone else getting this? Thanks, Andrew To

Re: [ccp4bb] Regarding the correct space group identification

Boaz > > Boaz Shaanan, Ph.D. > Dept. of Life Sciences > Ben Gurion University > Beer Sheva, Israel > > On Aug 1, 2022 18:24, Andrew Leslie - MRC LMB > wrote: > Dear Sayan, > >I believe that I have found the answer to your problem. &

Re: [ccp4bb] Regarding the correct space group identification

ure solution is ~29/32%. For C2 structure > solution, it is a little higher, 32/35%. > > > With best regards, > Sayan Saha. > > > > > > On Fri, Jul 29, 2022 at 3:25 PM Andrew Leslie - MRC LMB > mailto:and...@mrc-lmb.cam.ac.uk>> wrote: > Dear

Re: [ccp4bb] Regarding the correct space group identification

22121 structure solution is ~29/32%. For C2 structure > solution, it is a little higher, 32/35%. > > > With best regards, > Sayan Saha. > > > > > > On Fri, Jul 29, 2022 at 3:25 PM Andrew Leslie - MRC LMB > mailto:and...@mrc-lmb.cam.ac.uk>> wrote: &g

Re: [ccp4bb] Regarding the correct space group identification

Dear Sayan, Using imosflm, based on the two images that you have uploaded, the cell appears to be orthorhombic (approx 80, 85, 111) and there is no evidence for the C2 unit call that you suggested. Using only the second image there is a C2 solution, but the prediction is

Re: [ccp4bb] Regarding the correct space group identification

Dear Sayan, I could be wrong, but perhaps Kay was asking you to provide the actual images, rather than jpeg images. One can usually get a lot more information by processing the actual images rather than looking at the jpegs. Best wishes, Andrew > On 28 Jul 2022, at 17:11,

Re: [ccp4bb] Comparing two datasets

I think that POINTLESS works with intensities rather than structure factors (I’m not sure if this can be changed). Also, SCALEIT gives a much more detailed breakdown (R factors as a function of resolution and differences in terms of sigmas etc) than POINTLESS WILL. Cheers, Andrew > On 26 Jul

Re: [ccp4bb] Comparing two datasets

I think that SCALEIT should be able to do this. This was originally designed to compare Fs for Native and heavy atom derivate data, but can compare any two similar datasets (ie those that can sensibly be scaled together). You will need to merge the two mtz files first. Cheers, Andrew > On 25

Re: [ccp4bb] Strange crystal packing in twined crystal

Dear Florian, There have been previous examples where there are distinct “layers” of protein packing without any obvious density linking the layers, as it appears in the image you show. One is tyrosyl tRNA synthetase, where the layers were in fact linked by a disordered

[ccp4bb] Bug when running imosflm under Mac OS Monterey

size $huge_font_size -weight bold I am indebted to David Aragao for providing this fix. All current bug fixes are listed on the imosflm web page: https://www.mrc-lmb.cam.ac.uk/mosflm/imosflm/ver740/introduction.html <https://www.mrc-lmb.cam.ac.uk/mosflm/imosflm/ver740/introductio

[ccp4bb] Bug in starting the CCP4 distributed version of imosflm in latest CCP4 Updates (7.0.017 and 7.1.018)

ffect version 7.4.0 of imosflm if this was installed using the LMB website (which uses a different startup script). Andrew Leslie To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe

Re: [ccp4bb] am I doing this right?

Hi Ian, James, I have a strong feeling that I have seen this result before, and it was due to Andy Hammersley at ESRF. I’ve done a literature search and there is a paper relating to errors in analysis of counting statistics (se below), but I had a quick look at this and

[ccp4bb] Re-Release of iMosflm version 7.4.0

ast ~2-3 months have been beta versions and should now be replaced with the latest version. Andrew Leslie To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?

[ccp4bb] iMosflm version 7.4.0 release withdrawn

to the bulletin board when this has been done. Apologies to anyone affected by this, Andrew Leslie To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB

[ccp4bb] New iMosflm release, version 7.4.0

placed with the latest version. Andrew Leslie To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1 This message was issued to members of www.jiscmail.ac.uk/

Re: [ccp4bb] AW: [ccp4bb] Antwort: Re: [ccp4bb] chain on 2-fold axis?

Dear Kay and Jon, I cannot remember Ian Tickles original posting on this (assuming that it was made to the bulletin board), but surely the resolution of the data is also a very important factor in the danger of over-fitting. The lower the resolution, the worse the experimental data to refined

Re: [ccp4bb] How to process two datasets 45 degrees apart?

Dear Murpholino, Assuming that the two datasets are from the same crystal, and collected without moving the crystal in-between, then when processing with mosflm I recommend processing both sweeps in the same mosflm run. This is because you will get more accurate

Re: [ccp4bb] Ice ring data issue

Apologies if this is a duplicate, not clear if the Email I sent 5 hours ago actually got sent. Hi Alex, Although there is an “ice” icon in the imosflm GUI, which excludes all resolution bins where ice ringss are possible, this is not the best way to deal with this. Instead, use

Re: [ccp4bb] Ice ring data issue

Hi Alex, Although there is an “ice” icon in the imosflm GUI, which excludes all resolution bins where ice ringss are possible, this is not the best way to deal with this. Instead, use the Settings -> Processing options -> Processing tab, where you can specify individual resolution

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] Modeling ATP/ADP

Dear Reza, I would back Jon’s idea of looking at homologues, although this does depend on how close the homologue is. For example, if your protein has a “P” loop, with the Walker A sequence motif, then I think it would be very surprising if the nucleotide bound in different

Re: [ccp4bb] How many microfocus beamlines are in the world?

across the world, > detector history and contact details, and for facility people the deposition > statistics pages are an incredibly useful tool for many reasons. > > Best wishes > > Dave > > On 27/06/2020, 12:11, "CCP4 bulletin board on behalf of Andrew Leslie"

Re: [ccp4bb] How many microfocus beamlines are in the world?

gt; > "Next proposal submission period Mid 2013" > > Not 100% up to date, then. > > Yours, > Rasmus > > On 25/06/2020 09:36, Andrew Leslie wrote: >> Dear Morpholino, >> I think 10 microns or under is a reasonable way to define a micro focus beam >

Re: [ccp4bb] How many microfocus beamlines are in the world?

Dear Morpholino, I think 10 microns or under is a reasonable way to define a micro focus beam line. There is a list of all MX beamlines at the following web site: http://biosync.rcsb.org/index.jsp This gives details of each beam line, including beam size,

Re: [ccp4bb] Overrefinement considerations and Refmac5.

I would like to add a small caveat to Eleanor’s rule about a 3% difference being too low for a structure refined against 3Å data. If the 3Å data is for a structure that has already been solved at much higher resolution (e.g. 2Å) and the only difference for the 3Å dataset is a different ligand

Re: [ccp4bb] problems loading images in iMosflm under CCP4

Dear Annette, Which version of iMosflm are you using? Version 7.2.2, that is currently distributed with the CCP4 suite, will not read Rigaku style Pilatus images (RIPI) correctly, you need version 7.3.0 that can be downloaded from the imosflm website:

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

important to realise the practical difficulties that organisers face and the considerable effort that is involved in running these workshops. Regards, Andrew Leslie > On 5 Feb 2020, at 00:30, Alejandro Buschiazzo wrote: > > Dear colleagues, > > We are pleased to announce the 8th

Re: [ccp4bb] Dates for the CCP4 Study Weekend on Refinement in 1980

he Daresbury Study Weekend. I found this information on this > link: http://www.ccp4.ac.uk/html/sfall.html > <http://www.ccp4.ac.uk/html/sfall.html>. > > Regards, > Abhi > > On Sat, Aug 24, 2019 at 7:59 PM Andrew Leslie <mailto:and...@mrc-lmb.cam.ac.uk>> wrot

[ccp4bb] Dates for the CCP4 Study Weekend on Refinement in 1980

An unusual request perhaps, but does anybody know the actual dates for the 1980 CCP4 Study Weekend on Refinement? I’m hoping that someone keeps better records than me (or is more proficient at using Google)! Thanks, Andrew

[ccp4bb] New release of iMosflm (version 7.3.0)

the header information, there may be issues with reading the metadata (phi values, detector distance, wavelength etc) from files produced elsewhere, please let me know if this is the case. This latest version will be released as part of the CCP4 package in due course. An

Re: [ccp4bb] Error in data reduction!

t not able to find the reasons...I >> checked...Disk space is free and have permission to write also. I could able >> to run Pointless, but not Aimless. >> >> Any other reason?? >> >> Thanks >> >> Mike >> >> On Wed, Jul 10, 2019 at 5:37 PM A

Re: [ccp4bb] Error in data reduction!

I think Helen’s answer is absolutely right. I asked Phil Evans about this when I saw him yesterday, and he said that error usually arises when it is not possible to write the xml file, either because a disk is full, or because you do not have permission to write to that area. Andrew > On 3

[ccp4bb] X-ray equipment available

We have a Rigaku Actor robot and a HTC Image plate detector that we no longer require. Both are ten years old. If anyone is interested in acquiring these for a nominal sum (plus shipping costs) please let me know. Andrew Leslie MRC LMB, Cambridge

Re: [ccp4bb] Off topic: 'Difficult' Datasets for Processing Practice

Dear Matthew, I am also late in responding to this, but as part of a Nature Protocols paper on iMosflm (Supplementary Information for Nature Protocols 12, 1310-1325, 2017) I provided a number of examples of “problem datasets”. Some of these are just two images, to show

Re: [ccp4bb] [EXTERNAL] Re: identifying bound ions

Hi Herman, We can run it stand alone, (i.e. "which xpand” points to an exe that runs) but we have the Uppsala suite installed on our machine. Cheers, Andrew > On 2 Aug 2018, at 07:38, herman.schreu...@sanofi.com wrote: > > Dear Kay, > > I have looked at XPAND and it looks

Re: [ccp4bb] Resolution mismatch aimless/refmac

Hi Orru, If you have used the normal CCP4 processing pipeline, the data from AIMLESS will go into the “uniqueifyy” script that adds all possible reflections to the MTZ file (down to the lowest possible resolution for your unit cell dimensions), so that might explain why the low

[ccp4bb] New release of iMosflm (7.2.2)

ll cbf” image format produced on beam lines IO4 and IO3 (and other beamlines in the near future) at the Diamond Light Source. Please notify mos...@mrc-lmb.cam.ac.uk <mailto:mos...@mrc-lmb.cam.ac.uk> of any issues with this version. Andrew Leslie & Harry Powell Allow reading new-style

Re: [ccp4bb] double cell dimensions between P2 and C2

Dear Markus, I have seen something similar before, I think it was only one cell dimension that was changing (and not the lattice type), but it could double or triple the cell edge, crystals grown in very similar conditions, impossible to tell from morphology what the cell

Re: [ccp4bb] doubt regarding MR search model

Regarding the warning message "The top solution from a TF rescoring did not pack”, I get this on all the PHASER jobs that I have run recently, but looking through the PHASER log file I cannot see any evidence for packing failure. It may be that the failure is buried in an obscure place in the

Re: [ccp4bb] "reset" a structure before re-refinement

Hi Graeme, You can do this with PDBSET, keyword NOISE Cheers, Andrew > On 17 Aug 2017, at 16:17, Graeme Winter wrote: > > Dear All, > > Is there a protocol out there to gently perturb atomic positions so that > re-running refinement can essentially put them

Re: [ccp4bb] Indexing question

I tell POINTLESS to keep C2? > > Grace > > > Grace Beggs > Brennan lab > Department of Biochemistry | Duke University > Email: grace.be...@duke.edu <mailto:grace.be...@duke.edu> > > > From: Andrew Le

Re: [ccp4bb] Rmergicide Through Programming

I would like to support Graeme in his wish to retain Rmerge in Table 1, essentially for exactly the same reasons. I also strongly support Francis Reyes comment about the usefulness of Rmerge at low resolution, and I would add to his list that it can also, in some circumstances, be more

Re: [ccp4bb] peroxy-glutamate?

Dear Ed, I find your electron density quite interesting, because generally (I think, I would be happy to be corrected on this) when de-carboxylation of Asp/Glu occurs due to radiation damage, there is no evidence of what happens to the resulting CO2 group. One interpretation of

Re: [ccp4bb] large number in ASU

Dear Jademilson, At a CCP4 APS workshop a few years ago, one of the students solved a molecular replacement problem where I think there were close to 40 copies in the asu. I have to say that many people were surprised by this, but I think the protein was smaller and

Re: [ccp4bb] Why aren't green reflections on Mosflm integrated?

Dear Walt, As Tim has said, this is indeed related to the Lorentz correction. These reflections have a large Lorentz correction which is also very sensitive to the crystal orientation, so any small error in orientation can result in a big change to the Lorentz correction and

Re: [ccp4bb] mtz format problem from iMosflm

Dear Tom, I believe that I once had a similar problem and if I remember correctly (and I'm not certain about this) it was caused by having an extremely large negative intensity (rather than +ve), which could be why the scaling steps did not work because they might only look at +ve values, not

[ccp4bb] Two Postdoctoral Scientist positions at MRC LMB Cambridge

Posted on behalf of Chris Tate: Postdoctoral Scientist x 2 Structural biology of ion channels by cryo-EM Starting Salary £27,084 – £32,324 Band Salary £27,084 – £39,873 MRC Laboratory of Molecular Biology Two Pfizer-funded Investigator Scientist or Postdoctoral Scientist positions are

[ccp4bb] Reading coords and maps in COOT for PDB entries in mmcif format

I am trying to get coordinates and maps into COOT for a PDB entry that is only in mmcif format. If I select any of the Fetch PDB … options in COOT, I get the following error message: DEBUG:: in get-url-str: 4wz7 http://www.ebi.ac.uk/pdbe-srv/view/files/4wz7.ent; pdb

Re: [ccp4bb] Thin plate crystals

There have been quite a few reports that the addition of a low concentration of alcohol (e.g. isopropanol, a few %) can help to increase the thickness of thin plate crystals like these. However, these are probably in the Hampton additive screen that David Briggs suggested. Good luck, Andrew

Re: [ccp4bb] Absence of contact between layers in a crystal

Just to give a concrete example of Randy's point, PDB entry 2ts1 for tyrosyl tRNA synthetase has layers of molecules with no contact between the layers. This is because the domain (residues 320-419) that was providing the contacts in this direction was disordered and could not be modelled

Re: [ccp4bb] X-ray Source Differences (WAS: RE: [ccp4bb] How far does rad dam travel?)

Hi Tim, Jacob, I must admit that I was very surprised by the suggestion of a top-hat profile for a in-house rotating anode. We have a Rigaku Fr-E generator, and Rigaku provided a plot of the beam profile for that (with VariMax-HR Optic) and it is very far from being

[ccp4bb] Bond lengths and angles used by Molprobity for ANP (AMPPNP)

Does anyone know if Molprobity has recently changed the standard bond lengths and angles that it uses ? Molprobity is reporting errors in the C4-C5 bond length and the C5-C4-N3 bond angle (deviations of 8-10 sigma) for AMPPNP (monomer code ANP) for a new structure refined with Refmac. I then

Re: [ccp4bb] Bond lengths and angles used by Molprobity for ANP (AMPPNP)

h.t.jenk...@me.com wrote: On 15 Sep 2014, at 15:24, Andrew Leslie and...@mrc-lmb.cam.ac.uk wrote: This would suggest that the standard dictionary that Molprobity uses has changed, but I cannot find any reference to this on the Molprobity pages. I would

Re: [ccp4bb] ATP library file in REFMAC

Hi Bernie, This is an issue that the REFMAC developers and the PDB are aware of (at least at the EBI site) and that we have also encountered in a recent deposition. The problem is that there is indeed a discrepancy between the stereochemistry for ATP and ADP as defined in

Re: [ccp4bb] Rename chain ID of water molecules

Dear Wehne, Have you looked at the CCP4 program watertidy … I think it does what you want (but I have not used it myself). Andrew On 3 Jul 2014, at 04:42, Wenhe wenhezhong.xmu@gmail.com wrote: Dear CCP4BB members, I want to keep the chain ID of water molecules the same as their

Re: [ccp4bb] Helix alignment and movement

Dear Mike, I think that the old CCP4 superpose program used to be able to do this ? (This was a FORTRAN program, based on code from Wayne Hendrickson's PROLSQ program). With this program you specify one set of residues to do the alignment with and another set to do the

Re: [ccp4bb] metals disapear

Dear All, So there has been quite a bit of advice on minimising radiation damage, and on some of the effects of radiation damage, but unless I have missed it no-one has come up with a clear cut case where radiation damage actually resulted in the (complete ?) loss of a metal

Re: [ccp4bb] metals disapear - sidetrack - helical scans

I would just like to back up Ruslan's comments. We have certainly found helical scans to be very valuable at the ESRF and Diamond in minimising radiation damage particularly in cases there the crystal is elongated approximately along the rotation axis direction and where there is not full

Re: [ccp4bb] metals disapear

Can the radiation damage gurus comment on this ? I know there is a problem with radiation damage changing the valence state of metals, but I don't remember hearing about the metal actually being lost due to radiation damage. Is this really common ? Thanks, Andrew On 30 Apr 2014, at 11:46,

Re: [ccp4bb] twinning problem ?

Dear Stephen, I have seen a similar effect in the structure of F1-ATPase complexed with the full length inhibitor protein. The inhibitor is a dimer, and it actually couples 2 copies of the ATPase, but it crystallised with only one copy of the ATPase per asymmetric unit.

Re: [ccp4bb] Large Conformational Change Upon Binding Ligand...

Dear Jacob, Citrate synthase is another early (historically) case, and GAPDH (on binding NAD). Andrew On 27 Feb 2014, at 19:43, Keller, Jacob kell...@janelia.hhmi.org wrote: Dear Crystallographers, Does anyone know of good examples of large, reversible conformational changes occurring

Re: [ccp4bb] Examples of multiple ASU copies with different conformations

and shows a (physiologically relevant) phosphate binding site that is not found in the other two copies. I would not describe the differences as dramatic though. The paper is: Kabaleeswaran et al., EMBO J 25, 5433 (2006) PDB ID 2HLD Best wishes, Andrew Leslie On 27 Jan 2014, at 18:08, Shane Caldwell

Re: [ccp4bb] Observed criterion sigma(I|F)

Hi Graeme, There was a CCP4BB thread about this quite recently (14th Nov 2013). I've coped below responses from Edward Berry and Matthew Franklin. SCALA AIMLESS have no sigma cutoffs, but TRUNCATE does. According to the documentation, reflections with intensities less than minus 4 standard

Re: [ccp4bb] Fix cell dimensions

Dear Niu, It depends on which part of processing you are referring to, i.e. the indexing step or the integration step. In MOSFLM there is no way to enforce cell dimensions during indexing, but providing there is an indexing solution that has cell dimensions close to the ones

Re: [ccp4bb] Fix cell dimensions

specify it in XDS script. So I wonder is there any way to force this work to be done. Thanks! Best, Niu On Mon, Nov 18, 2013 at 4:56 PM, Andrew Leslie and...@mrc-lmb.cam.ac.uk wrote: Dear Niu, It depends on which part of processing you are referring to, i.e

Re: [ccp4bb] TLS group assignment near poorly ordered loop

Hi Robbie, I was interested in a couple of things in your response: 1. Slightly different boundaries giving surprisingly different results. Doesn't this suggest that the system is too poorly determined to justify using TLS (and there is the issue that Ethan Merritt has raised

Re: [ccp4bb] mmCIF as working format?

Hi Tim, I just downloaded GroEL entry 4KI8 in pdb format and cid format from RSCB. The PDB format was 4.7Mb and the CIF format was 5.9Mb, doesn't seem such a big difference to me ? Which example were you looking at ? Andrew On 5 Aug 2013, at 09:03, Tim Gruene

Re: [ccp4bb] delete reflections with negative peak profile correlation

Dear Rain, I will let XDS expert users provide the definitive response to this because I'm not certain what exactly a negative peak profile correlation indicates. However, I would be very cautious about deleting reflections simply to improve the reported statistics. Taken to

Re: [ccp4bb] Split Crystal Dataprocessing

It turns out that these images contain two distinct lattices, separated by a rotation of about 5 degrees. Using the development version of iMosflm the two lattices can be easily indexed and integrated. However, the data is quite incomplete due to severe radiation damage. Andrew On 2 Jul

Re: [ccp4bb] ctruncate bug?

The integration programs report a negative intensity simply because that is the observation. Because of noise in the Xray background, in a large sample of intensity estimates for reflections whose true intensity is very very small one will inevitably get some measurements that are negative.

Re: [ccp4bb] Concerns about statistics

Hi Boaz, The improvement you see in the cofactor geometry after inclusion of higher resolution data is very interesting, but is it possible that this is a secondary effect resulting from the additional Xray data changing the relative weighting of the Xray and stereochemical terms in the

Re: [ccp4bb] unique reflections vs unique observations

clarify things a bit. Best wishes, Andrew Leslie Dear CCP4 users, I am a bit confused about the use of these terms in regards to structure refinement statistics. When I process my data with SCALA, the program outputs statistics in terms of total and unique numbers of observations

Re: [ccp4bb] Defining beamstop and error during indexing- moslfm

Dear Sonali, Just to add to Tim's reply, when you open the image with iMosflm, you can Drag and drop the direct beam position in the image display window. First, you have to click on the leftmost icon in the row of icons under the image filename (a green cross) which will display the

Re: [ccp4bb] Defining beamstop and error during indexing- moslfm

of reflections.So, any suggestions to correct it or am i doing something wrong. Thanks again for the help and suggestions -- Sonali Dhindwal “Live as if you were to die tomorrow. Learn as if you were to live forever.” --- On Thu, 22/3/12, Andrew Leslie and...@mrc-lmb.cam.ac.uk wrote: From: Andrew

Re: [ccp4bb] MOSFILM

then. For ease of use, we would also strongly recommend using the new mosflm interface (iMosflm) which can be downloaded from the same site. Best wishes, Andrew Leslie Is MOSFILM 6.2.6 the latest version?   Rex Palmer Birkbeck College

Re: [ccp4bb] mosflm gain

Dear James, Many thanks for the detailed explanation. I do find your results very interesting and (when time allows !) I will certainly investigate this effect in more detail and see if I find similar results for data that shows significant levels of radiation damage (as

Re: [ccp4bb] How to see miller indeces onto images

Dear Marco, I'm not sure exactly what you want (for example do you want the indices of ALL reflections to be shown or just individual ones) but iMosflm (CCP4 package) may be able to do what you want. After indexing the image, the predicted reflections will be displayed (as boxes). If

[ccp4bb] Diffraction Methods GRC, Registration deadline is 27th June

a full program and details on the application procedure can be obtained from: http://www.grc.org/programs.aspx?year=2010program=diffrac We hope to see you there ! Andrew Leslie (Chair) Ana Gonzalez (Vice Chair) Outline Program Diffraction Methods in Structural Biology, 18-23rd July 2010, Bates

Re: [ccp4bb] imosflm with multiple data sets

on separate sub-nodes.) Andrew Leslie wrote: Dear Tom, There is a straightforward way to do what you want. It is probably simplest to start by reading in only the images from the first segment (0-180). Then do the indexing, cell refinement and integration in the usual way

[ccp4bb] Vacancy for crystallographer at Heptares

This is posted on behalf of Dr. Fiona Marshall at Heptares. The Heptares web site for applications is: http://home.btconnect.com/heptares/vacancies.html Please respond using the web site or the Email address below, not to me. Andrew Leslie Structural Biologist/Crystallographer Heptares

Re: [ccp4bb] imosflm with multiple data sets

Hi Hari, This is slightly different, and was indeed a bug in imosflm version 1.0.0. In the new version, released last week (1.0.3) this bug is fixed, so that if images from multiple sectors are used in indexing, the same matrix is defined for all those sectors (ie they will not be marked as

Re: [ccp4bb] imosflm with multiple data sets

Dear Tom, There is a straightforward way to do what you want. It is probably simplest to start by reading in only the images from the first segment (0-180). Then do the indexing, cell refinement and integration in the usual way. Then read in the second segment of data. You

[ccp4bb] 2010 Gordon Research Conference on Diffraction Methods

crystallisation to model refinement and validation. We are currently preparing a preliminary program for the meeting, and would welcome suggestions for particular topics (with or without speakers). Please Email your suggestions to Andrew Leslie (and...@mrc-lmb.cam.ac.uk) or Ana Gonzalez

[ccp4bb] R-axis HTC set of images .. got some

Many thanks to those who offered datasets, I think that I am well set up now. Thanks again, Andrew

[ccp4bb] Gordon Conference on Diffraction Methods in Structural Biology

Dear All, Just to remind you that the closing date for registration is now just under 3 weeks away (22nd June). Best wishes Elspeth Garman (Chair) and Andrew Leslie (Vice Chair) Gordon Research Conference on Diffraction Methods in Structural Biology July 13-18, 2008, Bates College