time limit on canonical tautomer computation

Is it possible to put a time limit on canonical tautomer computation? I need plugin to return null when time limit has  passed.

Ken

Hi,

Not available this option, but we plan to add it in the near future.

Jozsi

Hi,

I implemented a "setTimeLimit" function in the "Tautomerization plugin"  which can be used to set an upper calculaiton time limit for the "canonic tautomer" generation. It will be  available in the 6.2.3 patch release. 

Jozsi

Hi,

If you like, you can have a look at our 6.2.3-beta1 test version.

API documentation for setTimeLimit method can be found here.

Further URLs:

Download: Marvin JChem Webservices-Classic 

Documentation and examples for
Applet,
WebStart 

API documentation: MarvinBeans Marvin Applets JChem

Best regards,
Gabor Vasko