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Re: [ccp4bb]: Amore in C2 - negative indices problem
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"Mark J. van Raaij" wrote:
>
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> *** CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html ***
>
> Dear all,
>
> I have a problem running TRAFUN in amore in the spacegroup C2.
> It doesn't seem to accept negative indices...is there anything obvious
> I have missed?
>
> Command file:
>
> amore TABLE1 c2.tab \
> HKLPCK0 c2.hkl \
> MAPOUT amore_trans.map << end-translate > translate_c2.log
> TRAFUN CB NMOL 1 RESO 10.0 4.0 PKLIM 0.5 NPIC 100
> SYMMETRY C2
>
> SOLUTIONRC 1 251.50 90.00 181.55 0.0000 0.0000 0.0000 17.4
> 51.7 22.3 24.7 2
>
> END
> end-translate
> grep -i "SOLUTIONTF1" translate_c2.log > translate_c2.list
>
Could you be using an old TABLE? There have been changes in the way
AMORE writes these out.
Try starting again from scratch.
Eleanor
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Eleanor J.Dodson, Chemistry Department, University of York, U.K.
Tel: Home +44 (1904) 42 44 49, work: +44 (1904) 43 25 65
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