xandre OURJOUMTSEV; CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>
Objet : RE: [ccp4bb] Bulk solvent correction in Phaser MR LF
Hi Sacha,
I was imprecise. With unplaced I meant 'neither rotated nor translated'.
Once you become post-rotationally SF based, you can in fact compute a
orientation
(rotation) is yet to be determined?
Thx, BR
From: Alexandre OURJOUMTSEV [mailto:sa...@igbmc.fr]
Sent: Dienstag, 3. Februar 2015 22:19
To: b...@hofkristallamt.org; CCP4BB@JISCMAIL.AC.UK
Subject: RE:[ccp4bb] Bulk solvent correction in Phaser MR LF
Dear Bernhard,
For the
t regards,
Sacha Urzhumtsev
De : CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] de la part de Bernhard Rupp
(Hofkristallrat a.D.) [hofkristall...@gmail.com]
Envoyé : mardi 3 février 2015 14:49
À : CCP4BB@JISCMAIL.AC.UK
Objet : [ccp4bb] Bulk solvent correction in Phaser MR LF
Hi Fellow
Hi Bernhard,
You're right, it's a Babinet-style correction to the SigmaA curve for the
effect of neglecting bulk solvent in the model. We gave a formula in equation
19 of the main Phaser reference (McCoy et al., 2007), but actually we've
changed the form of this since then. It looks like the
Hi Fellows,
I cannot find the proper reference for the implementation of bulk solvent
corrections in the
Phaser Molecular replacement likelihood functions. For the unplaced model,
it can only
be a Babinet model to improve the scaling, and I believe that is implemented
via a
Babinet rescaled
