Standardizer: Wedge Clean screws up common amino acids

User 81a38f9467

16-05-2013 04:17:16

Using Wedge Clean in Standardizer 5.12.3 produces unacceptable output for common amino acids.  Consider phenylglycine --- the input structure is acceptable and fully depicts the stereochemistry.  The output after Wedge Clean has unclear stereochemistry and is just wrong. 


Please fix ASAP.


 

ChemAxon a202a732bf

21-05-2013 08:18:06

Dear Tim,


thank you for reporting this issue, this is indeed a bug. Unfortunately we are not able to fix it in release 6.0 as its commit deadline was several weeks ago, but we will fix it ASAP in a following release. We will notify you when the fix is ready.


Best regards,


Zsuzsa

ChemAxon 25dcd765a3

14-06-2013 07:44:48

Dear Tim,


The 6.0.1 bugfix release coming out soon will contain the fix.


Andras