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 equation wasn't given in the documentation, so I've just updated that:
http://www.phaser.cimr.cam.ac.uk/index.php/Keywords#SOLPARAMETERS Best wishes, Randy Read On 3 Feb 2015, at 13:49, Bernhard Rupp (Hofkristallrat a.D.) <hofkristall...@gmail.com> wrote: > 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 ------ Randy J. Read Department of Haematology, University of Cambridge Cambridge Institute for Medical Research Tel: + 44 1223 336500 Wellcome Trust/MRC Building Fax: + 44 1223 336827 Hills Road E-mail: rj...@cam.ac.uk Cambridge CB2 0XY, U.K. www-structmed.cimr.cam.ac.uk
