OEDepict ExamplesΒΆ

The following table lists the currently available OEDepict TK examples:

Program

Description

Depict

generating 2D coordinates

Match2Img

depicting substructure search match

MCSAlign2D

aligning molecules based on MCS

MDLQuery2Img

depicting MDL query

MDLReaction2Img

depicting MDL reaction

Mol2Img

depicting a single molecule

Mols2PDF

depicting molecules in a multi-page image

Mols2Img

depicting molecules in a grid

RingDict2PDF

generating 2D ring dictionary report

SMARTSAlign2D

aligning molecules based on substructure search

ViewMDLSearch

depicting MDL query substructure search hits

Examples:

The following Java example demonstrates the usage of OEJavaImageBase class.

Download code

JavaImageBase.java