Using Integrated Calculations in IJC

Good evening

I have successfully added a couple of new services into Marvin following the guidelines set here

http://www.chemaxon.com/marvin/help/sketch/gui/setting_services.html

And I was trying to add the same services to Instant JChem using the 'New Chemical Terms' field, however I keep getting the same message 'Chemical Terms Expression is invalid'.

I have attached the serviceconfig file from my user directory

I am using IJC 5.6.0.3 and Marvin 5.6.0.4, but have several other versions installed on my PC

Any suggestions welcome !

Thanks

Catherine

 

 

Good morning

Further to yesterday's message, we have tried to use the same method using cxcalc and this works fine

We can also see the method in Instant JChem (see attachment)

Thanks

Catherine

Hi, this is known problem in Marvin. It will be hopefully fixed in IJC 5.7. Thanks for report.

Hello

We have just tried with the latest version 5.8, and we still have the same problem.

When we double-click on a structure, Marvin 5.8 opens and the services menu (with our calculations) is there and working.

But we would really like to add this as a new column in the IJC database.

Do you need more information (calculators.jar) to test it ?

Thanks

Catherine

Yes,  please send me the calculators.jar to pzajac at chemaxon.com

Thanks

Petr