[phenixbb] Possible problem with eLBOW in version 1.21rc1.5058 using smiles string
Francisco Javier Medrano
fjmedrano at cib.csic.es
Wed Nov 29 08:05:33 PST 2023
Dear developers:
I have tried to use eLBOW in version 1.21rc1.5058 to generate a cif
file for a ligand and the program give me the following error: SMILES
parser error:"Unable to load parsing table". The smiles string used was
OP(OP(O)(O)=O)(O)=O, but it does not work for other strings. It does
work if you supply a pdb file with connect records.
If I use version 1.20.1-4487 with the same smiles string it does
work properly.
Is there any bur in the 1.21 version?
Best regards
--
Fº Javier Medrano
Cristalografía de Macromoléculas
Centro de Investigaciones Biológicas Margarita Salas
C/ Ramiro de Maeztu, nº 9
Madrid - Spain
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