Copyright © 2013, Molsoft LLC
May 16 2013
[ 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.
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.
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