User 8710c16ea0
20-05-2010 09:02:19
I have previously used Daylight but am now changing to use Chemaxon
and since i am new to chemaxon i was hoping someone could explain how i
would look up the reaction transforms of a smiles string.
The smiles string is input by the user and I would then like to be able to display the smiles strings of all reaction transforms.
Previously i
have used the daylight transformation function however chemaxon does not
seem to have an equivalent?
Thanks a lot for any help
ChemAxon e08c317633
21-05-2010 09:16:58
Please see this post.
Some additional comments:
Transformations performed by Standardizer are usually run in batch mode, so Standardizer does not display which transformations are relevant for a molecule, it rather performs only the relevant transformations.
The Standardzier API provides methods which return information about which transformations were performed on a molecule during standardization, so using the API it is possible to implement an application which lists the relevant transformations. Let us know if you need help with this.
Zsolt