On Thu, 14 Mar 2019 13:19:00 -0600 Phuong Chau <pc...@smith.edu> wrote:
> Could anyone tell me any possible solution to solve this problem? 1. Go to ligand expo search @ http://ligand-expo.rcsb.org/ld-search.html 2. Search for UNL and consider the topology of an "unknown ligand". The solution is to fiter your substances to ones that are actually known. -- Dmitri Maziuk <dmaz...@bmrb.wisc.edu> _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
