Dihydrogen reported by majorms!?

User 8961c1b53b

30-08-2012 04:45:01

I ran the majorms plugin on every mol file provided by KEGG.  It reported an Inconsistent structure on several of them, (a very low number ~15/20K) but it reported an inconsistent structure in dihydrogen (C00282)?!


I attach the mol file.

ChemAxon 2136dd2f4b

30-08-2012 13:00:46

Hi,


 


I have fixed this bug.


The message was " Inconsistent" not the  "H2" structure. 


The fix will be available in the 5.11 version in September.


Thanks for reporting this bug.


 


Jozsi