Hi all, I got a very surprising error: RDKit generated a SMARTS string that it cannot parse. Here's my code: https://goo.gl/ETvjjT
In order to explain the code: I create a structural pattern with SMARTS. It's a strange pattern, I admit, but I was able to find it in my molecule. I then try to use FindMCS for the pattern and the molecule, and I get some results, but the smartsString is incorrect. I see some inexplicable commas before several bonds, and when I remove them I get a valid SMARTS and a reasonable structure. I'm using RDKit 2016.03.1 and conda 4.0.4 on Ubuntu 14.04. Best, Marta ------------------------------------------------------------------------------ Attend Shape: An AT&T Tech Expo July 15-16. Meet us at AT&T Park in San Francisco, CA to explore cutting-edge tech and listen to tech luminaries present their vision of the future. This family event has something for everyone, including kids. Get more information and register today. http://sdm.link/attshape _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
