[ Ph4 object faq ]

ICM can define a specialized object that can be used to as a generalized description of several ligands binding to the same pocket (a pharmacophore), or a fragment of the binding surface.

Pharmacophore object

A pharmacophore object, in contrast to regular atomic objects contains disconnected "centers" representing different interaction types and chemical fragments oriented in space.

Here are the main characteristics of the ICM pharmacophore objects.

• ICM pharmacophore objects are non-ICM objects and have special type called "pharma" or "ph4", to set this type use the set type object (e.g. set object a_ "ph4") .
• The objects contain a mixture of the chemical fragments and single atom centers (a.k.a. pharmacophore spheres).