[Jmol-users] Selection problem with structure 1TON

[<rh...@fl...>]

    Hi all,

Jmol 10.00.33 and 10.00.18 seem to be unable to select any protein residue range
in  the PDB structure "1TON" from the PDB database (e.g.: 53-58). In contrast
version 10.00.00 is able to do this.

When I looked at the PDB file I noticed that it contains no chain identifier and
that the "HOH" residue numbering starts at 1, overlapping with the protein
residue numbering. It looks like this could cause the problem. With "113I", a
similar structure without this kind of overlap, Jmol 10.00.33 doesn't show any
selection problems.

I don't know if "1TON" is still within the PDB format specifications and how
many other PDB structures also have this kind of overlap. So maybe this isn't a
bug but just a reduced error tolerance.

Regards,
Rolf

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