Re: [ccp4bb]: HKLOUT in amore

[Dirk Kostrewa <dirk.kostrewa@psi.ch>]

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Dear K.Sai Krishnan,

in version 4.0 is an inconsistency between the amore documentation and the
keywords in the Fortran code, which has been fixed by Eleanor Dodson in the
most recent amore version. To write out the desired Fcalc from amore 4.0, use
the keywords "TABFUN SFOUT".

Good luck,

Dirk Kostrewa.

"K.Sai Krishnan" wrote:

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> ***    CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html    ***
>
> Hello,
>     This has to do with the CCP4 4.0 version of amore. The step TABFUN
> has an optional output HKLOUT, which is ASCII file containing structure
> factor of the model. I have tried using this option, but the programme
> fails to write this particular output. Though, using this option in no way
> hinders running of the programme. Can anyone spot the bug for me? Is there
> another programme that calculates FCAL from coordinate file?
>
> BYE.

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