OEDepict Examples

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:

• Generating 2D coordinates
• Depicting Substructure Search Match
• Aligning Molecule Based on MCS
• Depicting MDL Query
• Depicting MDL Reaction
• Depicting a Single Molecule
• Depicting Molecules In a Grid
• Depicting Molecules in Multi-Page
• Generating 2D Ring Dictionary Report
• Aligning Molecules Based on Substructure Search
• Depicting MDL Query Substructure Search Hits

The following Java example demonstrates the usage of OEJavaImageBase class.

Download code

JavaImageBase.java