On Wednesday 08 August 2007 20:47, Ralf W. Grosse-Kunstleve wrote:
>
> The solution to this problem is to simply treat the serial numbers and
> residue numbers as strings. X-PLOR/CNS has been doing this forever,
> maybe other programs, too.
> Implementations to generate intuitive, maximally backward compatible
> numbers can be found here:
>
> http://cci.lbl.gov/hybrid_36/
From that URL:
ATOM 99998 SD MET L9999 48.231 -64.383 -9.257 1.00 11.54 S
ATOM 99999 CE MET L9999 49.398 -63.242 -10.211 1.00 14.60 C
ATOM A0000 N VAL LA000 52.228 -67.689 -12.196 1.00 8.76 N
ATOM A0001 CA VAL LA000 53.657 -67.774 -12.458 1.00 3.40 C
Could you please clarify this example?
Is that "A0000" a hexidecimal number, or is it a decimal number
that just happens to have an "A" in front of it?
[A-Z][0-9999] gives a larger range of values than 5 bytes of hexadecimal,
so I'm guessing it's the former. But the example is not clear.
(yes I could download and inspect the source, but I'm lazy tonight)
--
Ethan A Merritt
Biomolecular Structure Center
University of Washington, Seattle 98195-7742
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