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