JChem For Excel integration

This manual gives you a walk-through on how to integrate services into JChem For Excel.

Introduction

The integration of Marvin services clients into JChem For Excel is currently incomplete. As local services can't be accessed in non-Java environments, they don't work in JChem For Excel. However. web services do work. To call a service function via Chemical Terms, use the JCChemicalTerms Excel function.

Example

In this example we want to calculate the number of N atoms in the SMILES string of the molecule. We use the JCChemicalTerms(A2, CountAtomsPHP(molString('smiles'), 'N')). The resultof the calculation is put into a new cell. The content of the cell will be automatically updated if the values of the input cells are modified.

Fig. 1 Calling services in JChem For Excel