New InChI Conversion Nodes Added to RDKit Nightly Build

Dear All,

 

I added two new RDKit nodes in the nightly community build that perform conversions between RDKit Molecules and InChI Codes. They are using RDKit functionality built on top of the official InChI API. When generating an InChI code and key it is possible to influence the results with different options (switches) that are described on the InChI web site:

http://www.inchi-trust.org/fileadmin/user_upload/html/inchifaq/inchi-faq.html#15.14

 

Please feel free to try out these new nodes. We appreciate your feedback! 

 

Kind regards,

Manuel Schwarze