Mesomerize action fails to produce a canonical structure

User 81a38f9467

18-06-2014 23:56:12

I am using the Standardizer version 6.3.1.  My test file (attached) has four structures;  examples 1&2 are a pair of mesomers, as are 3 & 4.  The Mesomerize action gives a single canonical structure for 3 & 4, but 1 & 2 are both left unchanged.  The output is incorrect because 1 & 2 are two representations of the same structure and thus should both produce the same output.


Please fix.


Thanks,


Tim

User 851ac690a0

19-06-2014 12:55:12

Hi,


 


Thanks for reporting this bug.The fix will be available in the 6.4 version.


Jozsi