Hello, I'm very new to RDKit and the RDKit database cartridge. I'm not chemist so please my apologize for the simple question. After reading the documentation it's clear to me how to create the emolecules database with the raw_data table and populate with the version.smi.gz file (http://downloads.emolecules.com/free/2014-06-01/version.smi.gz). Then I create the mols table that will have only the smiles accepted by RDKit. Great!
My question, if it has any sense: Is there a how-to to create a sdf table populating it with the version.sdf.gz file (http://downloads.emolecules.com/free/2014-06-01/version.sdf.gz)?? Can you please point me where the instructions are? Or what is the version.sdf.gz file used for? Sorry for this basic questions and thank you for your time... 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. ------------------------------------------------------------------------------ Open source business process management suite built on Java and Eclipse Turn processes into business applications with Bonita BPM Community Edition Quickly connect people, data, and systems into organized workflows Winner of BOSSIE, CODIE, OW2 and Gartner awards http://p.sf.net/sfu/Bonitasoft _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
