Mapping error

User 761d9eb85b

19-10-2009 08:48:17

Hello,


When I tried to use the mapping function of Standardizer 5.2.3_1, I found an error:


for reaction  1,2-diphenylethan-1-one ---> 1,2-diphenylethan-1-ol


the mapping is incorrect as the carbon next to oxygene atom is not the same number in substrate and in product.


This problem also exist in MarvinSketh 5.2.3_1, when adding Map Atoms.


 

ChemAxon e08c317633

19-10-2009 09:04:37

Hi,


We can reproduce the error.


Standardizer: please map the atoms manually, and Standardizer will perform the transformations correctly.


MarvinSketch: it's an AutoMapper bug, we will fix it.


Zsolt

User 761d9eb85b

19-10-2009 09:33:50










Zsolt wrote:

Hi,


We can reproduce the error.


Standardizer: please map the atoms manually, and Standardizer will perform the transformations correctly.


MarvinSketch: it's an AutoMapper bug, we will fix it.


Zsolt



Thanks


 

ChemAxon e08c317633

02-07-2013 10:57:33

This bug was fixed. AutoMapper in Marvin/JChem 6.0 maps the reaction correctly.