I guess this is one of the most stupid question for an advanced user, but I would like to know how to convert an InChI to an InChI key. I read the help for the inchi format, but it's not clear to me how to pass options to the program. I'm using babel 2.2.3 for linux ubuntu, no interface, only terminal Thanks in advance
-- ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Paolo Maietta - Phd Student, Structural Computational Biology Group Structural Biology and BioComputing Programme Spanish National Cancer Research Centre (CNIO) C/Melchor Fernandez Almagro, 3 Madrid (Spain) - Zip code: 28029 Phone: +34 91 732 8000 Ext: 3018 Fax: +34 91 224 6980 http://www.cnio.es ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ **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. ------------------------------------------------------------------------------ uberSVN's rich system and user administration capabilities and model configuration take the hassle out of deploying and managing Subversion and the tools developers use with it. Learn more about uberSVN and get a free download at: http://p.sf.net/sfu/wandisco-dev2dev _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss