On Wed, Apr 26, 2006, Ioana Cozmuta wrote:
>
> Does anybody happen to know what each of the columns in the
> $AMBERHOME/dat/leap/parm/nucgen.dat
> represent and how were they calculated? I could not find this
> information in the Amber or nucgen manuals.
>
> $ABDNA !ARNOTT BDNA MONOMER UNIT
> H 8.91 95.2 2.08
> H 8.91 95.2 2.08
> P 8.91 95.2 2.08
> OA 10.20 91.1 1.86
> OB 8.82 103.3 1.29
> O3' 8.75 61.4 0.25
The basic reference source for the fiber-diffraction input is here:
Arnott, S.; Campbell Smith, P.J.; Chandraseharan, R. in Handbook of
Biochemistry and Molecular Biology, 3rd Edition. Nucleic Acids--Volume
II, Fasman, G.P., ed. (Cleveland: CRC Press, 1976), pp. 411-422.
As I remember, the "nucgen.dat" data was copied directly from these tables,
so that might help you decode them.
...good luck...dac
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Received on Wed May 03 2006 - 06:07:05 PDT
