User 121285d3c7
24-01-2012 22:13:48
I create a molecule table and import via api code. I include a standardizer as an option of StructureTableOptions. After import I can still see addends such as HCl in the structure even though "Remove Fragment" is on the list of standardization options.
Example code and standardizer xml attached.
Thank you for your consideration,
~Mark.
ChemAxon 42004978e8
25-01-2012 15:54:20
Hi,
How do you check the result of insertion?
Please note that the cd_structure contains the original molecule, it's the cd_smiles column that contains the standardized version.
Bye,
Robert
User 121285d3c7
25-01-2012 17:00:44
I was using InstantJChem! I initially had the problem with the standardizer there, then moved the topic here. Thanks!
ChemAxon a3d59b832c
26-01-2012 11:53:15
Hi Mark,
Then it was at the correct place at the Instant JChem forum. ;)
I think that Instant JChem uses the cd_structure column by default to display the molecules, and so it shows the original structure. However, you can change a setting to display the standardized structure.
You should check out the "Customize widget settings" dialog.
Look for the setting: "Display as standardized" for the Structure column.
http://www.chemaxon.com/instantjchem/ijc_latest/docs/user/help/htmlfiles/managing_data/widgets/MolPaneWidget.html
Best regards,
Szabolcs