User 502b35756d
06-05-2011 15:23:14
I use Instant JChem 5.4.1.1 (build 110330) with an Academic Licene and do not find the Clean2D/Clean3D option for the standardizer as I am used from earlier versions.
User 502b35756d
06-05-2011 15:23:14
I use Instant JChem 5.4.1.1 (build 110330) with an Academic Licene and do not find the Clean2D/Clean3D option for the standardizer as I am used from earlier versions.
ChemAxon fa971619eb
09-05-2011 07:09:26
Some standardizer actions such as Claean 2/3D have been disabled for database standardization as they don't make sense in that context. In the database the structures are stored as in cxsmiles fomat (an extension of smiles) in the cd_smiles column which does not contain any coordiantes. Therefore it is pointless to clean them in 2D or 3D when all coordinate information is going to be removed anyway.
The original (un-standardized) molecule is stored in the cd_structure column, which is the column used for display purposes by IJC. If you are wanting to have cleaned molecules here then you should clean the structures prior to importing them. The standalone standardizer still has the Clean 2/3D actions.
Tim