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
