Re: [ccp4bb] Rescale merged data?

Dear Randy, Harry et al, sorry for replying to several emails in one message - but as always, everything is connected ;-) On Thu, Apr 18, 2024 at 10:02:40AM +, Randy John Read wrote: > I’d like to add my strong agreement to what Robbie said, but also point > out a wrinkle. When the PDB runs

Re: [ccp4bb] About Staraniso

s://www.globalphasing.com/buster/wiki/index.cgi?DepositionMmCif [25] https://www.globalphasing.com/autoproc/wiki/index.cgi?RunningAutoProcAtSynchrotrons [26] https://www.globalphasing.com/buster/ [27] https://staraniso.globalphasing.org/table1/ (e.g. https:

Re: [ccp4bb] About Staraniso

Dear Arpita, > Apologies if the below query seems very naive! Your query is not at all naive, it is very probing. Sorry for the necessarily long reply to your questions - but there are a number of topics you raise where we think a large amount of confusion still exists. Please note that this

Re: [ccp4bb] Fwd: radiation damage and image discard

xe?SUBED1=CCP4BB=1 > > This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing > list hosted by www.jiscmail.ac.uk, terms & conditions are available at > https://www.jiscmail.ac.uk/policyandsecurity/ -- *-

Re: [ccp4bb] in memoriam of Raimond Ravelli

Very, very sad news. He had always so much enthusiasm, good nature and friendliness that it was pure joy to work with him on using radiation damage as a source of small differences to use for phasing. He will be sadly missed! Kind regards Clemens > Dear all, > > It is with profound sadness I

Re: [ccp4bb] Low resolution and high anisotropy

Dear Lande, On Wed, Oct 26, 2022 at 08:09:10AM +0100, Lande Fu wrote: > I noticed STARANISO processd the data all the way down to 1.7A, with > very poor stats on high resolution shell. Were you looking at the second table in the original email? It is not in a format I recognize as coming from

Re: [ccp4bb] Checking X-ray sequence (no more protein).

Prague > > Czech Republic > > Tel. +420 325 873 758 > > > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1 > >

Re: [ccp4bb] Regarding the correct space group identification

ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1 | > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1 ] > > This message was issued to members of [ http://www.jiscmail.ac.uk/CCP4BB | > www.jiscmail.ac.uk/CCP4BB ] , a mailing lis

Re: [ccp4bb] Comparing two datasets

gt;> > >>>>> > >>>>> > >>>>> > >>>>> > >>>>> To unsubscribe from the CCP4BB list, click the following link: > >>>>> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1 > >>>&g

Re: [ccp4bb] problems in Rfree-flags when refining with REFMAC and processing with STARANISO

Dear Vera, On Wed, Jul 13, 2022 at 10:13:28AM +0200, Vera Pfanzagl wrote: > You write that I should make sure REFMAC reads in the test-set from > the staraniso.mtz and does not replace it with a new one. This > would only be the case if it generates a new test set when I > initially import the

Re: [ccp4bb] problems in Rfree-flags when refining with REFMAC and processing with STARANISO

l mmCIF files together (as long as their data blocks have different identifiers). However, if additional decisions have been made between data processing and actual refinement (like enantiomorph, space groups, alternative indexing etc), some checks might be necessary. -- *--

Re: [ccp4bb] problems in Rfree-flags when refining with REFMAC and processing with STARANISO

Dear all, On Mon, Jul 11, 2022 at 03:12:02PM +, Carrapa Nunes Dias, Joao Miguel wrote: > I had a similar case and I solved it using the PDB tool pdb_extract from: > https://pdb-extract.wwpdb.org/ > PDB Extract is a pre-deposition service for assembling structure files for > wwPDB OneDep

Re: [ccp4bb] Improved support for extended PDBx/mmCIF structure factor files

Dear Dom, On Fri, Jan 14, 2022 at 10:56:32PM +, Dom Bellini wrote: > Thanks for your inputs. I wonder why the PDB doesn’t allow to submit > two separate mtz files, Ideally, these would actually be mmCIF files since MTZ files (1) can not hold all meta data a PDBx/mmCIF compatible file could

Re: [ccp4bb] what would be the best metric to asses the quality of a mtz file?

On Wed, Nov 03, 2021 at 12:54:00PM +, Ian Tickle wrote: > Suppose you had to compare two datasets differing only in their > high-resolution cut-offs. Now Rwork, Rfree and Rall will inevitably have > higher values at the high d* end, which means that if you apply a cut-off > at the high d* end

Re: [ccp4bb] what would be the best metric to asses the quality of a mtz file?

On Thu, Oct 28, 2021 at 06:28:05PM +0530, Shipra Bijpuria wrote: > I would first look at the dataset stats and define a resolution range > mainly based on I/sigI >1 and cc1/2 >0.5. Based on this, would take the > good resolution datasets only. Some probably obvious word of caution here: these

Re: [ccp4bb] what would be the best metric to asses the quality of a mtz file?

CCP4BB list, click the following link: > > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1 > > > > ######## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jis

Re: [ccp4bb] Selfrotation problem for the experts

; [1] https://stetefeldlab.c > > [2] https://stetefeldlab.ca/ > > > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1 > > This message

Re: [ccp4bb] Negative electron density

ce with harmonic > restraints, or otherwise tell your favorite refinement program to not move > them.  Your documentation may vary. -- *-- * Clemens Vonrhein, Ph.D. vonrhein AT G

Re: [ccp4bb] Problem with peakmax

maybe more limited to other shells, but standardized and therefore much more portable since every UNIX-like system so far will always have /bin/sh available. Cheers Clemens *-- * Clemen

Re: [ccp4bb] Question about tncs and SAD phasing

gt; https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1 > > This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing > list hosted by www.jiscmail.ac.uk, terms & conditions are available at > https://www.j

Re: [ccp4bb] Anomalous signal to noise details

Dear David, On Fri, Dec 18, 2020 at 11:53:08AM +, David Waterman wrote: > The paper "Substructure solution with SHELXD > " > (Schneider & Sheldrick, 2002) describes how > > data can be truncated at the resolution at which [ΔF

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] phenix.refine with ligand with ambiguous electron density

Dear all, coming back to those map questions again: On Wed, Nov 25, 2020 at 12:56:16PM +, Mooers, Blaine H.M. (HSC) wrote: > The question is about a Fo-Fc map and the replies have been focused on such > maps. > However, I question why you are bothering with Fo-Fc maps. > The ligand was

Re: [ccp4bb] phenix.refine with ligand with ambiguous electron density

owing 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/CCP4BB, a mailing > list hosted by www.jiscmail.ac.uk, terms & conditions are available at > https://www.jiscmail.ac.uk/policyandsecur

Re: [ccp4bb] Quote source inquiry

Hi Robbie, On Wed, Jul 15, 2020 at 07:23:15PM +, Robbie Joosten wrote: > At the same time if you have a a more relaxed approach to restraints > than you might find systematic deviations in bond lengths. A test > for that has been in WHAT_CHECK for decades and it actually works > surprisingly

Re: [ccp4bb] Completeness question

Dear Robbie, On Sat, May 30, 2020 at 08:36:06AM +, Robbie Joosten wrote: > I've been looking at some recent PDB entries that have much lower > spherical) completeness than reported in the coordinate file. One > reason for this is that the data were anisotropicly truncated, > another reason is

Re: [ccp4bb] Completeness question

> > Best > Vincent > ps: again, the credit of this script goes to the globalphasing team who > kindly helped when I asked them for help with it. > > > > Le 01/06/2020 à 11:47, Clemens Vonrhein a écrit : > > Dear all, > > > > On Sat, May 30, 2020 at 0

Re: [ccp4bb] Completeness question

### > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1 > > This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing > li

Re: [ccp4bb] neg density/high B on sidechains

; > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1 -- *-- * Clemens Vonrhein,

Re: [ccp4bb] Raw diffraction images for SARS-CoV-2 related structures

Dear all, as a follow-up to our initial message (and similar to other activities from the MX community), we added some content to our BUSTER wiki at https://www.globalphasing.com/buster/wiki/index.cgi?Covid19 to show interested users how to (re-)refine existing PDB entries with BUSTER and how

Re: [ccp4bb] CCP4BB vs COVID19

y. Ditto! Cheers Clemens -- *---------- * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * Global Phasing Ltd., Sheraton House, Castle Park * Cambridge CB3 0AX, UK www

Re: [ccp4bb] Raw diffraction images for SARS-CoV-2 related structures

Dear Julien, On Thu, Mar 19, 2020 at 08:47:20AM +, Julien Cappèle wrote: > Though I agree with you Clemens that raw images are amazing to work > with as you can use any software you are confortable with, we cannot > forget that depositing several TB of data for each lab would be bad > for

Re: [ccp4bb] Raw diffraction images for SARS-CoV-2 related structures

Dear Petr, On Thu, Mar 19, 2020 at 06:45:31AM +, Petr Kolenko wrote: > For those of you who are in touch with these data, would deposition > of unmerged intensities in P1 in the whole detector range instead of > complete dataset be good enough to „correctly“ re-evaluete the > structure? Or is

Re: [ccp4bb] Raw diffraction images for SARS-CoV-2 related structures

Hi Andreas, On Thu, Mar 19, 2020 at 07:06:32AM +0100, Andreas Förster wrote: > - The link to the raw data can be found inside the mmCIF file under > _pdbx_related_exp_data_set.data_reference. Whether it's also shown on one > of the PDB sites is up to the designers of these sides. I cannot find

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

; need help or suggestion for this issue. > > > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1 -- *------ * Clemens Vonrhei

Re: [ccp4bb] 8/ 2263 spots indexed XDS

-- > > > > To unsubscribe from the CCP4BB list, click the following link: > > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1 > > > > -- > > Dr. Raphael Gasper-Schönenbrücher > > Crystallography and Biophysics Facility > >

Re: [ccp4bb] Any guesses? - What is this feature modelled (wrongly) as 3 waters

wrote: > seen in a high resolution map? > > There is at least one other similar feature??? > > Eleanor -- *------ * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * Global Phasing Ltd., Sheraton House, Castle Pa

Re: [ccp4bb] How to include in refinement high resolution shells with VERY low completeness ?

Dear Ivan, On Mon, Aug 05, 2019 at 05:44:56PM -0400, Ivan Shabalin wrote: > Dear Kay, > > Thanks a lot for your answers! > > To my best understanding, REFMAC does not have an option of for restoring > reflections only in certain resolution shells. Remember that you can always do some simple

Re: [ccp4bb] [EXTERNAL] [ccp4bb] [6HR5] collected on an Eiger so Rmerge not relevant

ens -- *-- * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * Global Phasing Ltd., Sheraton House, Castle Park * Cambridge CB3 0AX, UK www.globalphasing.

Re: [ccp4bb] [EXTERNAL] [ccp4bb] [6HR5] collected on an Eiger so Rmerge not relevant

on.org, sbgrid,org or zenodo.org et al) :-) -- *---------- * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * Global Phasing Ltd., Sheraton House, Castle Park * Cambridge CB3 0AX, UK www

Re: [ccp4bb] High Rfree in last Shell

ne know how I can improve these Rfree factors other then cutting the > resolution, which already is rather low? > > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1 -- *---

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

of the individual and 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 ma

Re: [ccp4bb] change in unit cell volume

https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1 -- *------ * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * Global Phasing Ltd., Sheraton House, Castle Park * C

Re: [ccp4bb] AW: [EXTERNAL] [ccp4bb] refmac same residue different names

Dear Herman, On Thu, Feb 07, 2019 at 10:26:09AM +, Herman Schreuder wrote: > I did understand your question correctly and (at least for ligands) > the procedure I and also Diana Tomchick described, worked. However, > I just did a test with both Refmac and Buster and it seems that > these

Re: [ccp4bb] AUTOPROC error s

### > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1 -- *-- * Clemens Vonrhei

Re: [ccp4bb] Turning off the bulk solvent modelling in Refmac5 to generate Polder maps?

arika, and Tove Sjogren. "Structural basis for ligand promiscuity in cytochrome P450 3A4." Proceedings of the National Academy of Sciences 103.37 (2006): 13682-13687. -- *------ * Clemens Vonrhein, Ph.D. vonrhein AT GlobalP

Re: [ccp4bb] Generating Additional Phasing Statistics

> > To unsubscribe from the CCP4BB list, click the following link: > > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1 > > > > > > To unsubscribe from the CCP4BB list, click the following link: > https

Re: [ccp4bb] old data

Ooops - typo: https://www.globalphasing.com/autoproc/wiki/index.cgi?BeamlineSettings (thanks Harry). On Fri, Feb 01, 2019 at 11:31:14AM +, Clemens Vonrhein wrote: > Some resources with a wide range of information regarding specific > detectors (even going back to 2005-2010)

Re: [ccp4bb] old data

ived this transmission in error, please notify us immediately. > Thank you for your cooperation. > > > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1 -- *---

Re: [ccp4bb] Very strange LINK cards appearing in recent structures

il.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1 > > > > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1 -- *-

Re: [ccp4bb] VERY old mtz file..

k: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB=1 -- *-- * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * Global Phasing Ltd., Sheraton House, Castle Pa

Re: [ccp4bb] ice rings

32349 10 > 52 180.2 1.4 - 2.72 1.17 > > -- > > *** > > Charles Chen > > Research Instructor > > University of Pittsburgh School of Medicine > > Department of Anesthesiology > > ********** > >

Re: [ccp4bb] processing hd5 files from Dectris detector

Dear Laurent, On Thu, May 31, 2018 at 02:58:52PM +0200, maveyrau wrote: > we recently collected many datasets on dectris detectors producing > hd5 files. I would like to use some auto processing tools to process > them (xdsapp, xdsme…). As far as I can say, xdsapp or xdsme cannot > process hd5

Re: [ccp4bb] Problems with HEC in CCP4

; > > -- > > > > > > Eugene Osipov > > > Junior Research Scientist > > > Laboratory of Enzyme Engineering > > > A.N. Bach Institute of Biochemistry > > > Russian Academy of Sciences > > > Leninsky pr. 33, 119071 Moscow, Russia >

Re: [ccp4bb] Issues with latest XDS (20171218)

=== > > > > > > > > > > > > > >Forschungszentrum Juelich GmbH > >52425 Juelich > >Sitz der Gesellschaft: Juelich > >Eingetragen im Handelsregister des Amtsgerichts Dueren Nr. HR B 3498 > >Vo

Re: [ccp4bb] Total occupancy of two conformations of one nucleotide is over 1.0? Need help!

all molecule > here. > > > Any suggestions for occupancy refinement? I will appreciate your great help. > > > Best, > > Wei > > > > [cid:2b30f1a8-2a3a-4483-ac12-310f4bbed70b] > > > > > > -- *--

Re: [ccp4bb] Problem with Mg2+ binding site refinement

nding site in each monomer. > >> After refinement, in Mg2+ binding site negative density (red) has been > >> found as in pictures. I am using Phenix refine, and during refinement, > >> metal restrains were used. Herewith I have attached the refinement > >> statis

Re: [ccp4bb] Optimising data processing of a I432 dataset with 75% solvent content.

120 343 > Mean((I)/sd(I)) 25.8 132.0 1.0 > Mn(I) half-set correlation CC(1/2) 1.000 1.000 0.771 > Completeness99.8 97.6 100.0 > Multiplicity16.8 1

Re: [ccp4bb] NCS difference

Dear all, On Mon, Apr 24, 2017 at 08:15:57AM +, Bert Van-Den-Berg wrote: > Not quite sure what you mean but I suppose you refined with NCS > restraints and the red bar means that your chains in those regions > are not identical. I would turn NCS restraints off during > refinement, with your

Re: [ccp4bb] excluding residues from NCS

Dear Alice, in case you are still working on setting up NCS-restraints in refinement (especially excluding those residues from NCS-restraints that are truly different): BUSTER [1] can do this automatically through the use of so-called "pruning" of the local structure similarity restraints [2]. It

Re: [ccp4bb] sfall bug?

-- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK *-- * BUSTER Development Group (http://www.globalphasing.com) ***

Re: [ccp4bb] Optimal settings for finding NCS from density

Dear William, since it is a question to CCP4bb, I might suggest a CCP4-based solution ... On Fri, Jul 03, 2015 at 04:24:04PM +, William Chao wrote: What would be the best settings to look for NCS using phenix.find_ncs_from_density on an elongated (~150A) molecule? No coordinate is

Re: [ccp4bb] Fwd: [ccp4bb] XDS Rmeas in space group determination

-- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK *-- * BUSTER Development

Re: [ccp4bb] XDS INP

perfection in an imperfect world ;-) Cheers Clemens -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK

Re: [ccp4bb] XDS INP

zuokun -- *Natalie J. Tatum* PhD Researcher Durham University http://about.me/n.j.tatum -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge

Re: [ccp4bb] Sharp: Solomon density modification step

phases. Cheers Clemens On 28/01/2015 07:42, Clemens Vonrhein wrote: Dear Nicolas, On Mon, Jan 26, 2015 at 03:21:00PM +, Nicolas Soler wrote: A quick question regarding the density modification interface via the Sharp interface. Which resolution range / radius of the solvent sphere

Re: [ccp4bb] Sharp: Solomon density modification step

Dear Nicolas, On Mon, Jan 26, 2015 at 03:21:00PM +, Nicolas Soler wrote: A quick question regarding the density modification interface via the Sharp interface. Which resolution range / radius of the solvent sphere/ ncycles should be used for optimal result? I usually don't play around a

Re: [ccp4bb] R/R free reported values

, FREE ONLINE PHOTOSHARING - Share your photos online with your friends and family! Visit http://www.inbox.com/photosharing to find out more! -- *** * Clemens Vonrhein, Ph.D. vonrhein

Re: [ccp4bb] experimental phasing + MR

for how to combine all of these data into a workable map so I can build out the rest of the structure. Thanks, Gabriel -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House

Re: [ccp4bb] autosharp error message

mailing list or have a browse the SHARP/autoSHARP wiki for tutorials etc ... more info at www.globalphasing.com/sharp/. -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House

Re: [ccp4bb] the f' and f'' of heavy cluster

-- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK *-- * BUSTER Development Group (http://www.globalphasing.com) ***

Re: [ccp4bb] post to ccp4bb

-- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK *-- * BUSTER Development Group (http

Re: [ccp4bb] is there any version of xia2 or XDSME compatible with new XDS?

/autoproc/ http://www.globalphasing.com/autoproc/ReleaseNotes/ReleaseNotes_autoproc-1.0.2.html Cheers Clemens -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park

Re: [ccp4bb] Which program sequence to use in transforming from P1 to orthorhombic?

-- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK *-- * BUSTER Development Group (http://www.globalphasing.com) ***

Re: [ccp4bb] P321 space group reindex problem

might be acceptable, whereas at 3.5 Å this could rise to 0.8 Å. Cheers Clemens -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK

Re: [ccp4bb] problem in scaling the Zn-MAD data

of that automatically anyway? Cheers Clemens -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK

Re: [ccp4bb] Structure Determination combining X-ray Data and NMR

Villinger, Clemens Vonrhein, Christian Griesinger, Markus Zweckstetter, Kornelius Zeth(2008): Structure of the human voltage dependent anion channel. Proc. Nat. Acad. Sci. USA 105: 15370-15375. or http://www.pnas.org/content/105/40/15370.full It contains a fair amount of background info

Re: [ccp4bb] ncs axis translation

to be endoed anywhere (why??) ...stupid me... Thanks, tommi -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK

Re: [ccp4bb] Merging with CAD files

-- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK *-- * BUSTER Development Group

Re: [ccp4bb] Archiving Images for PDB Depositions

out. Please get in touch off-list... I will respond to the BB in a week or so to feed back on how responses to this go :o) Best wishes, Graeme -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global

Re: [ccp4bb] Archiving Images for PDB Depositions

-- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK *-- * BUSTER Development Group

Re: [ccp4bb] To archive or not to archive, that's the question!

the line? Not a bad investment it seems to me ... Cheers Clemens -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK

Re: [ccp4bb] Archiving Images for PDB Depositions

submission (optional for publication) and then structure factor deposition. Cheers Clemens -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK

Re: [ccp4bb] Linux vs MacOS for crystallographic software

Hi Sebastiano, On Thu, Sep 29, 2011 at 09:52:44AM +0200, Sebastiano Pasqualato wrote: does this mean that SHARP works on a Mac? yes (since 2004), same for BUSTER (since 2009) and autoPROC. Cheers Clemens -- *** * Clemens Vonrhein

Re: [ccp4bb] Help with deleting reflections from an mtz file

-- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK *-- * BUSTER Development Group (http://www.globalphasing.com

Re: [ccp4bb] Trouble compiling ccp4 in osx: stalled at checking for working non-fixed mmap

http://www.afmb.univ-mrs.fr/Miguel-Ortiz-Lombardia -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean. -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT

Re: [ccp4bb] Newbie Installation Question

with LD_LIBRARY_PATH settings that could contain a dangling ...: - not sure if that could mess up your environment? Cheers Clemens -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House

Re: [ccp4bb] Permissions and ownerships in ccp4 6.2.0

be set during packaging unfortunately. Cheers Clemens -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK

Re: [ccp4bb] Ghostview in CCP4 configure interface

Biotecnologia - CSIC c/Darwin 3, Campus Cantoblanco E-28049 Madrid, Spain tel. (+34) 91 585 4616 http://www.cnb.csic.es/content/research/macromolecular/mvraaij On 17 Jun 2011, at 19:50, Clemens Vonrhein wrote: On Fri, Jun 17, 2011 at 06:25:14PM +0100, Ian Tickle wrote: Hi

Re: [ccp4bb] Ghostview in CCP4 configure interface

viewer). Or you can view them directly with the 'xplot84driver' program which comes as part of CCP4? Cheers Clemens -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House

Re: [ccp4bb] autoSHARP/SHELXD : Scatter plot program for OS X

run in OS X Platform. Thank you, Raspudin -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK

Re: [ccp4bb] [RANT] Publication Data Formats

of it. Takes about 10 seconds ... Acrobat reader is not very good for selecting text in PDF files. I don't know about others, but xpdf is really good at it. Cheers Clemens -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing

Re: [ccp4bb] diverging Rcryst and Rfree

-- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK *-- * BUSTER Development Group

Re: [ccp4bb] Regarding space group P1, P21

structures being refined in P1 with only the A chain deposited ;-) Cheers Clemens -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK

Re: [ccp4bb] Regarding space group P1, P21

-- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK *-- * BUSTER Development Group (http

Re: [ccp4bb] Regarding space group P1, P21

-- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK *-- * BUSTER Development Group (http://www.globalphasing.com) ***

Re: [ccp4bb] Regarding space group P1, P21

-- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK *-- * BUSTER Development Group (http

Re: [ccp4bb] Big difference between anomalous map and density modification map

) this is all not surprising. Cheers Clemens -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK

Re: [ccp4bb] Big difference between anomalous map and density modification map

in ISO residual maps)? I.e.: is your HA model as good as it could be? Cheers Clemens -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX

Re: [ccp4bb] mol rep help needed

than that I guess ;-) Cheers Clemens -- *** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK

Re: [ccp4bb] Heavy atom sites?

. Structure 6, 571-86. and the manual: http://www.globalphasing.com/sharp/manual/chapter2.html#external http://www.globalphasing.com/sharp/manual/chapter4.html#ExternalPhaseInformation Cheers Clemens -- *** * Clemens Vonrhein, Ph.D

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