I have a script remap<http://wiki.jmol.org/index.php/User:Remig/plico/remap>
that can put in the missing info.
>On Thu, Feb 13, 2014 at 8:02 AM, Robert Hanson <hans...@stolaf.edu> wrote:
> Thanks for the files. Do complain to WaveFunction. These "PDB" files are
> total trash:
>
> HETATM 1 N UNK 0001 17.047 14.099 3.625
> HETATM 2 C UNK 0001 16.967 12.784 4.338
> HETATM 3 C UNK 0001 15.685 12.755 5.133
> HETATM 4 O UNK 0001 15.268 13.825 5.594
> HETATM 5 C UNK 0001 18.170 12.703 5.337
> HETATM 6 O UNK 0001 19.334 12.829 4.463
> HETATM 7 C UNK 0001 18.150 11.546 6.304
> HETATM 8 N UNK 0001 15.115 11.555 5.265
> HETATM 9 C UNK 0001 13.856 11.469 6.066
> HETATM 10 C UNK 0001 14.164 10.785 7.379
> HETATM 11 O UNK 0001 14.993 9.862 7.443
>
> ATOM 1 N THR A 1 17.047 14.099 3.625
> ATOM 2 CA THR A 1 16.967 12.784 4.338
> ATOM 3 C THR A 1 15.685 12.755 5.133
>
>
> 1) There is just one residue for the entire model.
> 2) PDB atom names are lost.
>
> With just one residue and no atom names (CA, especially), I'm afraid these
> are totally worthless.
> What were they thinking????
>
>
> Bob
>
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