Hi Greg, On the openbabel devel mainling list there was discussion about the Largest Set of Smallest Rings (LSSR). RDKit calls this symmetric SSSR I think. Craig proposed an algorithm to directly select this LSSR from the found rings. This doesn't work for all cases though.
Most of these extensions (e.g. ESSR, RDKit, ...) to the SSSR start from the SSSR itself. I know how to compute this LSSR from the SSSR but is it possible to compute this LSSR without the SSSR? Thanks, Tim ------------------------------------------------------------------------------ ThinkGeek and WIRED's GeekDad team up for the Ultimate GeekDad Father's Day Giveaway. ONE MASSIVE PRIZE to the lucky parental unit. See the prize list and enter to win: http://p.sf.net/sfu/thinkgeek-promo _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
