OEDepict Examples

The following table lists the currently available OEDepict TK examples:

Program

Description

depict.py

Generating 2D coordinates.

match2img.py

Depicting substructure search match.

mcsalign2D.py

Aligning molecules based on MCS.

mdlquery2img.py

Depicting MDL query.

mdlreaction2img.py

Depicting MDL reaction.

mol2img.py

Depicting a single molecule.

mols2pdf.py

Depicting molecules in a multi-page image.

mols2img.py

Depicting molecules in a grid.

ringdict2pdf.py

Denerating 2D ring dictionary report.

smartsalign2D.py

Aligning molecules based on substructure search.

viewmdlsearch.py

Depicting MDL query substructure search hits.

Examples: