After the adjacency matrix from rdkit you can do a lot with the networkx python library.
On Wed, 17 Jul 2019, 10:00 Jan Halborg Jensen, <[email protected]> wrote: > You can get an adjacency matrix with the function GetAdjacencyMatrix: > > mol = Chem.GetMolFromSmiles(‘CCCCC’) > am = Chem.rdmolops.GetAdjacencyMatrix(mol) > > > On 16 Jul 2019, at 21.06, Navid Shervani-Tabar <[email protected]> > wrote: > > > > Hello, > > > > I was wondering if it is possible to generate graph representations from > SMILES using RDkit package. > > > > Thanks, > > Navid > > _______________________________________________ > > Rdkit-discuss mailing list > > [email protected] > > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > > > _______________________________________________ > Rdkit-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
_______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
