OK. This got messed up when introducing pyrogen, acedrg etc. (probably
committed something which shouldnt have been...). I will clean this out.
Sorry.
B
On 17/02/2015 17:50, Oliver Clarke wrote:
> Hi all,
>
> When I use the python scripting functions new_molecule_by_smiles_string or new_molecule_by_smiles_string_by_libcheck, I get an error stating that the global variable "three_letter_code" is not defined (and the molecule is not created - see first screenshot).
>
> Looking at coot_utils.py, it appears that new_molecule_by_smiles_string_by_libcheck has been defined twice, and three_letter_code referenced before definition in the second instance (see first screenshot).
>
> Cheers,
> Oliver.
>
--
***************************************************
Dr. Bernhard Lohkamp
Associate Professor/Docent
Div. Molecular Structural Biology
Dept. of Medical Biochemistry and Biophysics (MBB)
Karolinska Institutet
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Sweden
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