Marvin Sketcher Structure-Checker/Standardizer questions

Hi,

Is it possible to programmatically set and lock Structure Checker functionality/parameters when deploying Marvin Sketch?  That is, can we make it so that, for example, no chemist can register a compound with superatoms (without them having to modify (or being able to modify) the GUI options for Structure Checker in Marvin)?

Also, can any Standardizer behavior be invoked in Marvin?

Thanks.

Andrew

Hi,

 

You can set up the list of checkers (and their options) in the Preferences dialog of Marvin Sketch. There is a factory default configuration shipped with the application, but you can alter the settings: check the file checkerconfig.xml at user home/chemaxon. If the file is missing, try to change the default settings at Preferences, so the custom settings will appear in this file. If this file exists, Marvin Sketch will load the checker settings from here. You can create such file by setting up the Checker behaviour at Preferences, or save a configuration with our upcoming new Structure Checker software.

 

You can enable or disable automatic checking state at startup, see marvin properties file: autoCheckStructure=true or autoCheckStructure=false.

 

You can provide a checker list setup, and set the default automatic check settings by creating checkerconfig.xml and create/alter marvin.properties when deploying, but there is no supported way to lock, or modify these settings via API.

 

Standardizer functionality can not be invoked in Marvin Sketch, You have to use Standardizer for that,  - or, you can implement your own checkers and fixers to achieve Standardizer-like behaviour.

 

Best regards,

Istvan Rabel

Thanks very much for the info.

 

Best,

Andrew