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This manual will give you a walk-through on how to integrate services into Instant JChem.



Introduction

 

In Instant JChem calculations can be accessed via Chemical Terms. To do this select the Data > New Chemical Terms Field... from the menu to add a new Chemical Terms to a JChem table. Any calculation that was previously registered can be called as any Chemical Terms function. 
 

When using the Chemical Terms editor, automatic code completion can help to complete the names of the searched functions.

 

Example

 

Add a new Chemical Terms field with the expression molFormat(MMS(7.4, "smiles")). A new column will appear in the table, which contains the major microspecies of the input molecule at pH 7.4 in SMILES.