TABULATING GEOMETRIES; 3D SUBSTRUCTURE SEARCHES

Typical Uses for 3D Substructures

Basic Guide to Tabulating Geometries

Basic Guide to 3D Substructure Searching

Geometric Objects

Valid Geometric Objects

Defining Geometric Objects

Displaying Geometric Objects in the Draw Window

Deleting Geometric Objects

Geometric Parameters

Valid Geometric Parameters

Defining Specific Geometric Parameters Involving Only Atoms

Defining All Geometric Parameters Involving Atoms

Defining Geometric Parameters Involving Objects

Renaming Geometric Parameters

Displaying Geometric Parameters in the Draw Window

Deleting Geometric Parameters

Applying Geometric Constraints

3D Search Options

Searching for Molecules Containing Chemical Groups Separated by a Specified Distance; Pharmacophore Searching

Types of Distances between Disconnected Substructures

Hints for Tabulating Geometries and 3D Substructure Searching