Re: [ccp4bb] open old job list under a project in a newly installed ccp4

Hi Raj, You can just add the old project directory as a new project in your new installation. Cheers, Robbie From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Raja Dey Sent: Tuesday, October 11, 2016 21:53 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] open old job

[ccp4bb] open old job list under a project in a newly installed ccp4

Dear Members, How can I open old job list under an old project in a newly installed ccp4? Regards, Raj

[ccp4bb] Beamtime @ SLS

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[ccp4bb] Detwinning, why not?

Many, many years ago I worked in Rossmann's lab. Some colleagues were detwinning a structure. Whatever they tried, the twin ration went from something near 50-50 to something near 95-5 without any improvement. I wrote software that would look at reflection files in search of systematic

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Re: [ccp4bb] Why Does Detwinning Not Work?

Let me clarify: twin *refinement* is definitely the way to go. Detwinning data *prior* to structure solution, however, always seems to worsen things, whether for MR or experimental phasing. But it is hard to imagine how detwinning makes data worse than not, if we’ve modelled twinning

[ccp4bb] AW: [ccp4bb] Why Does Detwinning Not Work?

Dear Bernard et al., I thought that in twinned refinement, no detwinning was performed, but that twinning was somehow incorporated in the refinement targets. Of course, after refinement detwinning has to be done so that we human beings with limited innate detwinning faculties are able interpret

[ccp4bb] Occasional Support for Minstrel Imagers?

Hi all, sorry for being slightly off topic but I have a question for UK labs who have Rigaku Minstrel imager systems. To get material support on older systems we will now have to move onto a full service contract, we were previously on software support, calling for material support if needed

Re: [ccp4bb] Why Does Detwinning Not Work?

I seem to recall that Gerard was also looking at incorporating proper ML refinement for twinned data into the Global Phasing software, but I’m not sure on the status. Best, Steve From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Bernhard Rupp Sent: Tuesday, October 11,

Re: [ccp4bb] Why Does Detwinning Not Work?

Tom Terwilliger recently pointed me to a relevant discussion on the phenix bb: http://phenix-online.org/pipermail/phenixbb/2013-May/019836.html​ In essence, in case of detwinning, the refinement target is not a ML target

[ccp4bb] AW: [ccp4bb] AW: [ccp4bb] Why Does Detwinning Not Work?

Normally, twinned refinement is the way to go. However, if the maps don’t become clearer and without twinned refinement the R/Rfrees are already 0.25/0.29, there might be some other problem. Here I would be more cautious. Herman Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im

Re: [ccp4bb] AW: [ccp4bb] Why Does Detwinning Not Work?

Search for: "experimental phasing with detwinned data" and you will find some hits. You need a low degree of twinning, and a strong sub-structure signal.. Re MR solutions - it is usually possible to solve the structure providing you get the space group right, but in my experience the maps are

Re: [ccp4bb] Why Does Detwinning Not Work?

Hello Jacob, Quoting you, "Please let me know if you have a case where detwinning saved the day". Well you asked for it so here is one example where twinning saved the day: "Crystal structure of pb9..." by Flayhan et al. (2014), J. Virol. 88 (2), 820-828. Without detwinning I think there

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[ccp4bb] AW: [ccp4bb] Why Does Detwinning Not Work?

Dear Jacob, I agree with Chris. In my experience for MR, twinning is just like having a space group with one extra 2-fold (or other twin operator) so MR is indeed largely immune to twinning. Also the maps, calculated with uncorrected data, often look surprisingly good, just having a higher

Re: [ccp4bb] Why Does Detwinning Not Work?

Sorry--I think you were referring to phasing, not refinement. I hope my message is still relevant. Cheers, Chris On Tue, Oct 11, 2016 at 10:39 AM, Chris Fage wrote: > Dear Jacob, > > I'm not an expert on the topic, but from my experiences with twinning I > can agree with you.

[ccp4bb] PhD position available - another one

Posted on behalf of Prof. Stefan Knapp Note that this is another PhD position (not the same one as previous post last week). The Institute of Pharmaceutical Chemistry, Goethe University Frankfurt, Germany, currently offers a position for a PhD student in the research group of Prof Knapp

Re: [ccp4bb] Why Does Detwinning Not Work?

Dear Jacob, I'm not an expert on the topic, but from my experiences with twinning I can agree with you. I recently solved my second twinned structure by MR (twin fraction of 0.43, as estimated by Xtriage). Performing twin refinement in Refmac or phenix.refine dropped the R-factors, as expected,