On 05/04/14 19:04, Michal Krompiec wrote:
> For example, it does not work well > for long conjugated oligomers - sometimes it produces molecular knots > instead of straight strands, and is quite slow for large systems. Can you expand on that? What sort of long conjugated oligomers were you looking at? What was the nature of the input from which you were making rdkit molecules? Paul. ------------------------------------------------------------------------------ _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
