> I do not know what the current state is of developing the ML target for
> refining
> against twinned (I, F) data is.
>
Formulas are there, see "Maximum likelihood refinement for twinned
structures" here:
https://www.phenix-online.org/newsletter/CCN_2011_01.pdf
someone just need to code it.
of observations, right?
JPK
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Bernhard
Rupp
Sent: Tuesday, October 11, 2016 8:09 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Why Does Detwinning Not Work?
Tom Terwilliger recently pointed me to a relevant discussion on the phenix
: [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
, 2016 8:09 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: 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
: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
herman.schreu...@sanofi.com
Sent: Tuesday, October 11, 2016 1:23 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] AW: [ccp4bb] AW: [ccp4bb] Why Does Detwinning Not Work?
Normally, twinned refinement is the way to go. However, if the maps
Auftrag von Eleanor
Dodson
Gesendet: Dienstag, 11. Oktober 2016 13:09
An: CCP4BB@JISCMAIL.AC.UK
Betreff: 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
Auftrag von
> *Chris Fage
> *Gesendet:* Dienstag, 11. Oktober 2016 10:40
> *An:* CCP4BB@JISCMAIL.AC.UK
> *Betreff:* Re: [ccp4bb] Why Does Detwinning Not Work?
>
>
>
> Dear Jacob,
>
>
>
> I'm not an expert on the topic, but from my experiences with twinning I
&g
t detwinning I think there would have been no crystal structure
in the end...
Cheers,
Fred.
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Keller,
Jacob
Sent: Tuesday, October 11, 2016 2:15 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Why Does Detwinning Not Work?
Dear Cryst
Auftrag von Chris
Fage
Gesendet: Dienstag, 11. Oktober 2016 10:40
An: CCP4BB@JISCMAIL.AC.UK
Betreff: 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
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.
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,
Dear Crystallographers,
Based on some data sets I have looked at and anecdotal-type evidence here and
there I have gotten the impression that detwinning does not help in structure
solution. (Please let me know if you have a case where detwinning saved the
day.) Is there a clear answer to this
12 matches
Mail list logo