Ethan A Merritt wrote:
On Wednesday 08 August 2007 20:47, Ralf W. Grosse-Kunstleve wrote:
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.
I'm guessing the former also. A 5-digit hex number would not be
backwards compatible. With this system legacy programs can still
read the files with 99999 atoms or less, and anything more than
that they couldn't have handled anyway. Very nice!
Ed
