OEDepict ExamplesΒΆ

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 generating 2D ring dictionary report
smartsalign2D.py aligning molecules based on substructure search
viewmdlsearch.py depicting MDL query substructure search hits

Examples: