Hello, I have a postgres table with compound names and other info. I want to save also .mol or .sdf information associated to this compounds. I'm getting the structure information from the chebi web service and I assume that I have to save this info in some way in order to enable the substructural search and other searching options
I have searched for information in "The RDKit database cartridge" but I cannot find an explanation for my purposes. I'm searching a "type" for saving structures, and the way to tell the table some options (tautomers, repeated molecules...etc) when saving the data. Can anybody tell me where to find information, how-to or tutorial for what I'm trying to do? My apologizes if this is a too simple question. Thank you very much, Andrés **NOTA DE CONFIDENCIALIDAD** Este correo electrónico, y en su caso los ficheros adjuntos, pueden contener información protegida para el uso exclusivo de su destinatario. Se prohíbe la distribución, reproducción o cualquier otro tipo de transmisión por parte de otra persona que no sea el destinatario. Si usted recibe por error este correo, se ruega comunicarlo al remitente y borrar el mensaje recibido. **CONFIDENTIALITY NOTICE** This email communication and any attachments may contain confidential and privileged information for the sole use of the designated recipient named above. Distribution, reproduction or any other use of this transmission by any party other than the intended recipient is prohibited. If you are not the intended recipient please contact the sender and delete all copies. ------------------------------------------------------------------------------ Infragistics Professional Build stunning WinForms apps today! Reboot your WinForms applications with our WinForms controls. Build a bridge from your legacy apps to the future. http://pubads.g.doubleclick.net/gampad/clk?id=153845071&iu=/4140/ostg.clktrk _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
