> When the JME editor creates a molfile with JME.molFile(), it saves the > same stereo information contained in the SMILES and the proprietary JME > file. Where the JME file uses -1(up) and -2(down), the JME created > molfile puts a 1(up) and 6(down, go figure) in the connection table's > first extra info column, next to the bond in question.
That's right, Otis. As far as I remember, those 1 and 6 are MDL specification for up/down bonds. ------------------------------------------------------------------------------ This SF.net email is sponsored by Sprint What will you do first with EVO, the first 4G phone? Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
