IJC chemical terms for reactants/products in reaction tables

User e707056b27

05-11-2008 22:27:19

While I'm quite familiar with using and constructing chemical terms in "molecule" tables in IJC, I am struggling to get similar terms to work on structures inside reactions in "reaction" tables

Commands such as those found in your online guide:




..are not valid

Do I need to define reactants/products somehow or map atoms in Marvin when the reaction is drawn to be able to call them in a chemical term?

Perhaps these kinds of calculations are only a feature of JChem proper or requires a license?

Thanks for your help,


Edison Pharmaceuticals

Instant JChem Version: 2.3.1 (build: 080616)

JChem Version: 5.0.3

Marvin Version: 5.0.3 (build date: 2008-04-22)

Java: 1.6.0_02; Java HotSpot(TM) Client VM 1.6.0_02-b05

System: Windows XP version 5.1 running on x86; Cp1252; en_US (instantjchem)

NetBeans build: 200711261600

ChemAxon e08c317633

07-11-2008 10:07:19

Reaction context examples work only if the evaluation environment of the Chemical Terms expression is reaction context. Currently reaction context is used only in Reactor. We will consider using reaction context also with reaction tables.

See also: http://www.chemaxon.com/marvin/help/chemicalterms/ChemicalTerms.html#context