Dear Randy, Thank you for your quick response. Obviously, you have given this a lot of thought.
I would like to have the HL coefficients in the phaser output file for downstream compatibility with density modification programs such as resolve. Thank you, Petr On 07/03/2013 10:46 AM, Randy Read wrote: > Dear Petr, > > Presumably you're just talking about Phaser for molecular replacement, > because Phaser still produces HL coefficients for SAD phasing. > > There were two major reasons we made this change. First, the presence of HL > coefficients can fool some programs into thinking that you have experimental > phase information that is independent of your model, which is not true for > phases from molecular replacement. Second, for unimodal sources of phase > information like model phases, the HL coefficients are redundant and can be > generated from the phase and FOM, e.g. by using the HLCONV command in sftools. > > We could easily put this option back in, controlled for instance by setting > the VERBOSE flag, if there were a compelling reason. No-one else has > complained since we made this change a year ago, but maybe they have been > suffering in silence! Could you let us know why you find this feature > extremely useful? > > Best wishes, > > Randy Read > > On 2 Jul 2013, at 18:41, Petr Leiman <petr.lei...@epfl.ch> wrote: > >> I have just found out that phaser v. 2.5.2 in ccp4 6.3.0-021 does not >> output columns with HL coefficients. I cannot find a combination of >> buttons in CCP4i GUI to enable this extremely useful feature. This is >> the first time I tried phaser in the latest CCP4 release and I am >> shocked this problem has not been discovered and fixed already. If there >> is a reason to this new output column behavior, it would be very useful >> to hear this reason. >> >> Sincerely, >> >> Petr >> >> -- >> Petr Leiman >> EPFL >> BSP 415 >> CH-1015 Lausanne >> Switzerand >> Office: +41 21 69 30 441 >> Mobile: +41 79 538 7647 >> Fax: +41 21 69 30 422 > ------ > 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 >
