Importing Molecules & Options

User d6c1b7eb8c

18-09-2009 13:56:27

I have been experimenting with the options JChem provides for importing molecules such as 'c' and 'd', and have so far only manage to set them using the MolImporter() Class. I was wondering wether it is possible to set options when importing using the MolHandler().

One reason I wish to do this is I want to be able to import SMILES from a file, which have a space-seperated name. In order to extract this I need to go through the file manually, line by line, and split out the smiles with their corresponding names, however I do not believe MolImporter() can do as such.

Thanks very much for your time,
Ben Lowe

ChemAxon 909aee4527

22-09-2009 06:43:33

Dear Ben Lowe,


to be able to fully support you in this can you please give us some more information.


An example file would help and please show us how you call MolImporter and what you would expect instead of this call.


Kind regards,
Judit