Instant JChem integration

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.

{info} 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.