Hello.
When getting SMILES from CIF files, it seems that the stereochemistry
around double bonds is no longer indicated in the output after upgrading
to 2.3.0.
For example, with a CIF file containing such a double bond, I get with
version 2.3.0:
$ babel 2005910.cif -osmi
Can you provide an example cif file for testing?
- Noel
2010/11/9 Miguel Quirós Olozábal mqui...@ugr.es:
Hello.
When getting SMILES from CIF files, it seems that the stereochemistry
around double bonds is no longer indicated in the output after upgrading
to 2.3.0.
For example, with a CIF
Sure. I am attaching the same file of the example in my message. I have
seen the same behaviour with many other files.
Miguel.
El mar, 09-11-2010 a las 14:08 +0100, Noel O'Boyle escribió:
Can you provide an example cif file for testing?
- Noel
2010/11/9 Miguel Quirós Olozábal