Tautomer calculation still slow

User 8bc8ccad88

22-09-2009 08:48:08

Hi,


the tautomer plugin seems to have an issue with the attached molecule, even after the fixes in 5.2.3. This might be up to the large ring system containing smaller rings.


Regards, Ingo

User 851ac690a0

24-09-2009 00:28:04

Hi,


 


I have fixed this bug.  I excluded  certain "RCONHR" groups from the tautomerization.Now the  calculation is more faster.


 


The fixed version will be available  in the next month (end of october).


 


Jozsi