Hi,
I haven't yet found a function to combine two molecules in a document to one single molecule. I'm loading a pdb file, inserting a SMILES string to the document and making a bond between the original molecule and the one appended from SMILES. Then I would like to export a PDB or a MOL file of the bonded molecule. However, I've only succeeded in saving files where the two molecules are described as separate entries. Describing the document as a single molecule would be essential for subsequent use.
I haven't yet found a function to combine two molecules in a document to one single molecule. I'm loading a pdb file, inserting a SMILES string to the document and making a bond between the original molecule and the one appended from SMILES. Then I would like to export a PDB or a MOL file of the bonded molecule. However, I've only succeeded in saving files where the two molecules are described as separate entries. Describing the document as a single molecule would be essential for subsequent use.
