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: