User 56c4fc7140
12-06-2007 17:31:03
Hi,
I receive the following exception when trying to create a molecule from a smiles string using MolImporter.importMol(smilesString) where smilesString = {C[C:1](=[O:2])[OH:3]>>CC(=O)OCC, CN, anything actually}... the exception message is "Cannot import cxsmiles format".
context:
I'm trying to create an mdocument instance using a molecule instance. But I can't even instantiate a simple molecule.
...
Molecule mol = MolImporter.importMol("CN");
MDocument doc = mol.getDocument();
if(doc==null)
doc = MDocument(mol);
...
thanks!
I receive the following exception when trying to create a molecule from a smiles string using MolImporter.importMol(smilesString) where smilesString = {C[C:1](=[O:2])[OH:3]>>CC(=O)OCC, CN, anything actually}... the exception message is "Cannot import cxsmiles format".
context:
I'm trying to create an mdocument instance using a molecule instance. But I can't even instantiate a simple molecule.
...
Molecule mol = MolImporter.importMol("CN");
MDocument doc = mol.getDocument();
if(doc==null)
doc = MDocument(mol);
...
thanks!