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 F(env) whole inclusion should improve the TF score. What is not evident to me is how to use a mask and compute the Fs if the 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 unplaced model, it can only be a Babinet model to improve the scaling, This is not fully true, and the flat mask correction can be used as well. Please look : Fokine, A. & Urzhumtsev, A.G. (2002) "On the use of low resolution data for translation search in molecular replacement". Acta Cryst., A58, 72-74 Fokine, A., Capitani, G., Grütter, M.G. & Urzhumtsev, A. (2003) "Bulk-solvent correction for fast translation search in molecular replacement: service programs for AMoRe and CNS". J. Appl.Cryst., 36, 352-355. Best 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 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 function for sigma A including the coordinate error. Can anybody help me where to find that? Thx, BR
