Validate bonds and structures in Standardizer

User 677b9c22ff

11-11-2010 01:55:20

Hi,


is there a function in Standardizer to validate bonds and structures, similar to MSketch?


Thanks


Tobias

ChemAxon d76e6e95eb

11-11-2010 07:59:01

Yes, it is called Structure Checker. A command line tool and a Graphical User Interface (a wizard) will be released in a couple of days in version 5.4 with several new and improved checkers, manual and automatic fix modes, and reporting capabilities.


While Standardizer is responsible for canonicalization to provide chemically accurate searching in database tables, our new Structure Checker product focuses on detection and correction of errors and on features that might be problematic. We consider Structure Checker a validation tool for chemical registration systems.

User 677b9c22ff

12-11-2010 19:03:40

Hi Gyuri ,


that will be really cool, lots of problems with defect structures will be solved much faster.


Cheers


Tobias