JChem for SharePoint - How to use the JChem Calculated Structure Field

tutorial · 8 years ago
(ChemAxon)
JChem for SharePoint

Short video describing how to perform advanced chemical computations on structures using the JChem Calculated Structure field.

Welcome to the fifth training video of the JChem for SharePoint Installation and Usage series.
This episode will show and explain how to perform advanced chemical computations using the JChem Calculated Structure field.
We will use as a sample an already imported list (see the video on how to import chemical files into SharePoint lists).
Let's navigate to the NCI100 list, which is already populated with a structure column and two JChem Chemical Terms fields (see the video describing the JChem Chemical Terms).
The JChem Calculated Structure field can be used for chemical terms which return a new structure as result of the computation applied over an existing structure.
Let's add a new Calculated Structure field.
Select the target column to be the Structure column from the list.
Type the desired chemical term - in this case, bmf().
Save and return to the list.
The column should contain the bmf information for each item in the list.
Now let's add a second Calculated Structure field.
Select the target column to be the Structure column from the list.
Type the desired chemical term - in this case, allTautomer().
Save and return to the list.
The column should contain the first tautomer information for each item in the list.
Finally, editing an item causes the calculated structure fields to update upon saving.
Please check the next videos to discover more advanced features of JChem for SharePoint.