Re: [ccp4bb] proxy settings for ccp4 package manager

Hi Johannes, On RHEL 6.7, setting "http_proxy" was sufficient. Best regards, Takanori Nakane On 2018/01/09 13:18, Johannes Cramer wrote: Dear CCP4bb, does anyone know how I can make the ccp4 package manager use a proxy for downloading in Linux 64bit versions? This would make installing and u

Re: [ccp4bb] reindexing mtz

Sorry - my bad memory and mis-reading the manual... Harry -- Dr Harry Powell Chairman of European Crystallographic Association SIG9 (Crystallographic Computing) > On 10 Jan 2018, at 21:30, Phil Evans wrote: > > I don’t think Pointless can (or should) read .x files - they have to go into > sc

Re: [ccp4bb] reindexing mtz

I don’t think Pointless can (or should) read .x files - they have to go into scalepack as that sorts out various things in the data. Pointless can read unmerged .sca files from scalepack, but they can’t be (properly) scaled in Aimless Phil > On 10 Jan 2018, at 21:11, CCP4BB > <193323b1e61

Re: [ccp4bb] reindexing mtz

Hi Peter No, don't bother scaling in hkl2000. Just take the .x files and read them into Pointless directly - it should auto-detect the file type and any output reflection file from it will be in MTZ format. Then Aimless can do the scaling. See the manual, e.g. https://www.mrc-lmb.cam.ac.uk/

Re: [ccp4bb] reindexing mtz

Just to be absolutely clear about my approach to doing this, I should scale in HKL2000 as an unmerged set, and then take the unmerged scalepack, convert to mtz and run through pointless? Also, would taking my current mtz (which is a merged dataset) work using the reindex program in CCP4? Are t

Re: [ccp4bb] reindexing mtz

Thanks Paul - Peter, in that case I think you can just read the data into pointless and it will suggest possible spacegroups and the appropriate reindexing. eleanor On 10 January 2018 at 11:07, Paul Emsley wrote: > On 10/01/2018 10:58, Eleanor Dodson wrote: > >> Yes - that is possible, but need

[ccp4bb] Acta Cryst F special issue on carbohydrates

Dear colleagues, just a quick update regarding the special issue with title 'Crystallography of glycoproteins and protein-carbohydrate complexes', which Mark van Raaij and I are co-editing for Acta Crystallographica Section F: Structural BIology Communications. We have extended the deadline for i

Re: [ccp4bb] reindexing mtz

Yes - that is possible, but need more information. Are the files unmerged data? Eleanor On 10 January 2018 at 03:34, Peter Hsu wrote: > Dear all, > > Looking to get some advice on reindexing an old dataset. I recently solved > a structure of reasonable resolution at ~3A in C2. I had an old datas

[ccp4bb] CANES MSc/PhD Applications now open-September 2018 entry

Applications are now open for the CANES Programme (September 2018 entry) Download our poster here View this email in your browser

Re: [ccp4bb] CCP4MG error after installation

Dear Matthew, Does the program fail to run, or fail to load files? The above message may or may not be a real error. CentOS 6 should not be a problem for ccp4mg, but I will try to check later today to see if I have the same problem as you. You could try the "standalone" version of ccp4mg outsid

Re: [ccp4bb] Help needed to make a clue about ligand

Shankar, It looks like Acetyl coA to me. Best wishes, - Allister > On 10 Jan 2018, at 04:09, Shankar Prasad Kanaujia > wrote: > > Dear All, > > Wishing you all a very happy and prosperous new year 2018 > > We have recently solved a structure which contains a huge density in the > ac

[ccp4bb] iNEXT annual user meeting Grenoble, 19-21 March 2018

*Announcement of the iNEXT Annual User Meeting in Grenoble* The* 3**^rd **Annual Users Meeting of iNEXT* will take place from *19*^*th * *to 21*^*st* * March 2018*at the European Photon and Neutron (EPN) Science campus in *Grenoble (France)*. The EU-funded structural biology project *iNEXT* pr