Overview about Accelrys and ChemAxon cartridge functions

User 05d9866f9b

07-08-2013 10:41:51

Hi All, Is an overview available where you can see the Accelrys commands and the ChemAxon commands e.g. for cartridge functions like
Function:   returns the number of reactants or products in a reaction
Accelrys:   rdcaux.Ncomponents
ChemAxon:   ??? couldn’t find it by now


That would be really helpful for migration tasks.

ChemAxon aa7c50abf8

07-08-2013 11:03:31

Hi Edith,


JChem Cartridge provides most functions returning some kind of structure property as Chemical Terms functions (accessible using either the JC_EVALUATE or JC_EVALUATE_X function). I am going to ask the Calculator Team about the availability of this particular function.


Thanks,


Peter

ChemAxon aa7c50abf8

07-08-2013 11:34:43

Hi Edith,


It seems that these functions are not currently available.


Peter

ChemAxon aa7c50abf8

09-08-2013 09:13:11

The equivalent Chemical Terms functions reactantCount(), productCount(), and agentCount() will be included in Marvin/JChem 6.1.


Peter