From: Egon Willighagen <egonw@sc...> - 2001-12-25 08:57:07
On Wednesday 19 December 2001 19:50, Patrick J. Carroll wrote:
> suspect the PDB reader is that if I change the PDB file so that
> the B of the Br symbol is in the same vertical column as, e.g., C
> for carbon, Jmol interprets it as a boron (if I turn labelling on,
> those atoms are labelled with "B"'s for boron). If the r of "Br"
> is in the same column as the "C"'s, those atoms do not get labelled
> (there is no element with the symbol "r").
I've looked at the PDB reader code, and the reading of the atom was not
correct according to the PDB specifications...
In other words: you found a genuine bug... thanx for noticing the problem
and for explaining your problem.
The code has been fixed for Jmol and uploaded to SourceForge.
For your convenience, attached is an updated Jmol-web applet jar.