On May 5, 2006, at 10:52 p, Timothy Driscoll wrote:
I have a pdb file (ATP) that contains several atom records in the
following format:
HETATM 42 1HN6 ATP 1 5.276 3.765 1.510 1.00 0.00
as far as I can tell, this is valid pdb format. I should be able
to select the above atom with this kind of expression:
select *.1HN6
but Jmol throws a script error (end of expression expected).
can anyone tell what I am doing wrong?
a little more information. apparently Jmol is unhappy with a numeric
next to the dot in the above atom expression. so changing 1HN6 to
aHN6 makes the error go away.
assuming that it is valid pdb format to have an atom expression begin
with a numeric, and I can't find anywhere in the pdb spec that says
it is not, then I think this is a bug in Jmol.
of course, sometimes I have trouble reading the spec. I'll look more
closely and please yell if you know something here.
thanks,
tim
--
Timothy Driscoll em: [EMAIL PROTECTED]
molvisions - see. grasp. learn. ph: 919-368-2667
<http://www.molvisions.com/> im: molvisions
usa:virginia:blacksburg tx: [EMAIL PROTECTED]
"Anyone who considers arithmetical methods of producing random digits
is, of course, in a state of sin." - J von Neumann
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