PMapper Developer's Guide

Contents

• Introduction
• Architecture
• Example
• User's Guide

Introduction

The PMapper class determines pharmacophore features for each atom in a molecule. These features are defines in a configuration XML.

Architecture

The PMapper API is fairly simple: first create a PMapper object by setting the configuration in the constructor, then get the feature map in form of a PMap object by calling the createFeatureMap(Molecule target) method.

Example

A typical API usage example can be found in the PMapper class header.