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: