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
S-17177 Stockholm
Sweden
phone: (+46) 08-52487651
fax: (+46) 08-327626
email: bernhard.lohk...@ki.se
---
This email has been checked for viruses by Avast antivirus software.
http://www.avast.com
