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:
http://www.chemaxon.com/marvin/help/chemicalterms/ChemicalTerms.html#reactioncontextexamples
e.g.
mass(product(1))
..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,
Kieron
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
Commands such as those found in your online guide:
http://www.chemaxon.com/marvin/help/chemicalterms/ChemicalTerms.html#reactioncontextexamples
e.g.
mass(product(1))
..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,
Kieron
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