How to display chemicals in a spreadsheet (ICM table) in 3D?

[Andrew Orry]

Q.

How to display chemicals in a spreadsheet (ICM  table) in 3D?

A.

When you read in a sdf file with 3D coordinates you can view the molecule in 3D by one of two ways:

- right click on the 'mol' column in the table and choose 'Set 3D Browse Mode'

- a column labeled 'L' will be displayed which you can use to toggle the 3D display on and off.

- when toggled on the ligand will be displayed in the ICM workspace left hand side panel

- you can select the ligand by double clicking on it.

Or

You can load the chemical into the ICM workspace by

- right click on 2D sketch of ligand in the table

- choose chemistry

- load and preserve coordinates.