Re: [ccp4bb] Proper detwinning?

2014-07-13 Thread Chris Fage
do > not waste time on ZANUDA. > > If you have pseudo-translation, try to refine the model output by ZANUDA in > P212121. > > Best, > > Misha > > ____________ > From: Chris Fage [cdf...@gmail.com] > Sent: 12 July 2014 00:33 > To: Isupov, Michail > Cc: CCP4BB

Re: [ccp4bb] Proper detwinning?

2014-07-12 Thread Harry Powell
ANUDA has resolved several similar cases for me. >> >> Misha >> >> ____________ >> From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Chris Fage >> [cdf...@gmail.com] >> Sent: 10 July 2014 01:14 >> To: CCP4B

Re: [ccp4bb] Proper detwinning?

2014-07-12 Thread Isupov, Michail
12121. Best, Misha From: Chris Fage [cdf...@gmail.com] Sent: 12 July 2014 00:33 To: Isupov, Michail Cc: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Proper detwinning? Nat and Misha, Thank you for the suggestions. Xtriage does indeed detect twinning in P

Re: [ccp4bb] Proper detwinning?

2014-07-11 Thread Phil Jeffrey
t mode from ccp4i or on CCP4 web server. ZANUDA has resolved several similar cases for me. Misha From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Chris Fage [cdf...@gmail.com] Sent: 10 July 2014 01:14 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] P

Re: [ccp4bb] Proper detwinning?

2014-07-11 Thread Chris Fage
ZANUDA has resolved several similar cases for me. > > Misha > > > From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Chris Fage > [cdf...@gmail.com] > Sent: 10 July 2014 01:14 > To: CCP4BB@JISCMAIL.AC.UK > Subject: [ccp

Re: [ccp4bb] Proper detwinning?

2014-07-10 Thread Isupov, Michail
01:14 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Proper detwinning? Hi Everyone, Despite modelling completely into great electron density, Rwork/Rfree stalled at ~38%/44% during refinement of my 2.0-angstrom structure (P212121, 4 monomers per asymmetric unit). Xtriage suggested twinning, with

Re: [ccp4bb] Proper detwinning?

2014-07-09 Thread Nat Echols
On Wed, Jul 9, 2014 at 5:14 PM, Chris Fage wrote: > Despite modelling completely into great electron density, Rwork/Rfree > stalled at ~38%/44% during refinement of my 2.0-angstrom structure > (P212121, 4 monomers per asymmetric unit). Xtriage suggested twinning, > with <|L|> = 0.419, = 0.245, a

[ccp4bb] Proper detwinning?

2014-07-09 Thread Chris Fage
Hi Everyone, Despite modelling completely into great electron density, Rwork/Rfree stalled at ~38%/44% during refinement of my 2.0-angstrom structure (P212121, 4 monomers per asymmetric unit). Xtriage suggested twinning, with <|L|> = 0.419, = 0.245, and twin fraction = 0.415-0.447. However, there