Adding new Chemical Terms to IJC

User 7b0ee04e66

09-06-2010 12:32:18


We have created one own calculator (own implementation of TPSA) which we can use in Marvin Sketch, with some help from Zsolt.

We can also use it in command line with cxcalc and evaluate

C:\Program Files (x86)\ChemAxon\JChem\bin>cxcalc.bat tpsa "NCCCO"
id      tpsa
1       46.25

C:\Program Files (x86)\ChemAxon\JChem\bin>evaluate.bat -e "tpsa()" "NCCCO"

However, it is not available in IJC. We have tried to copy the extensions.jar file in the modules/ext folder, but it is still not recognised. Do I need to copy extra config files in the same folder ? 

What is the best way to make this calculator and other new ones available in IJC as a Chemical Term ?



ChemAxon fa971619eb

09-06-2010 13:50:16

Hi Catherine,

We'll need to work out the exact details of how to acheive this.

Would you be able to send us your jar file (privately) so that we can investigate?


ChemAxon 3b366b17e5

12-01-2011 12:11:08

Plugin for IJC 5.3.X was developed.

Information for installing nbm file:

org-mrv-plugin.nbm file was attached. You ca install it to IJC by

using plugins manager:

1) Perform Tools->Plugins from main menu

2) Select "Downloaded" category

3) Press "Add plugins" button and select the "org-mrv-plugin.nbm"

4) Press "Install" button

Information for developers who uses IJC 5.3.4: is attached.

1) unzip the, it contains NetBeans standalone module project

2) start NetBeans 6.7

3) Open NetBeans

4) Install IJC platform ("Tools->NetBeans platforms" from main menu,

add "IJC 5.3.4" platform)

5) Open the unziped project ("mrvplugin")

6) Perform properties from popup on "mrvplugin" projects node, select

"Libraries" category and select "IJC 5.3.4" platform

7) Try run the "mrvplugin" project

How the plugin works:

org.mrv.plugin.Installer.restored() is executed during every startup

of IJC. It installs the extensions.jar located in org.mrv.plugin

package. The extensions.jar is deployed  as netbeans patch for jchem

libraries module.  The evaluator.xml file is deployed to


The ".chemaxon" folder is used on linux. On windows it's probably

"chemaxon". It's the same folder where is placed license for jchem.

The JCHEM_MAJOR_VERSION is 5.3  for current release.