On May 7, 2006, at 2:21 p, Bob Hanson wrote:
Timothy Driscoll wrote:
can Jmol support both versions (HG11 and 1HG1) without converting
between them?
If by "can" you mean "could" -- Yes, absolutely.
It all has to do with recognizing what's a number and what's not.
Currently, Jmol 10.2 recognizes "3.X" where X is a letter A-Z as
"not a number". But it only looks ahead one character after the
decimal, so it considers "3.1" a number and throws that error. I
simply adjusted it so it would look ahead TWO characters -- "3.1H"
then is "not a number". While at it, I fixed it so that "?" is
counted toward "not a number" the same way A-Z is. Now, if we can
have 3.11HG as well, that's more of a pain, but if not, maybe not
worth the trouble to generalize this. Can you ever have two
numerical digits at the beginning of an atom name?
I don't think the file spec expressly prohibits it, but I don't know
that any such beast exists. you would need an atom with more than 9
connected atoms, yes?
tim
--
Timothy Driscoll em: [EMAIL PROTECTED]
molvisions - see. grasp. learn. ph: 919-368-2667
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"Anyone who considers arithmetical methods of producing random digits
is, of course, in a state of sin." - J von Neumann
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