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 <[log in to unmask]> 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
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> CH-1015 Lausanne
> Switzerand
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------
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
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Cambridge CB2 0XY, U.K. www-structmed.cimr.cam.ac.uk
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