OpenEye Python Cookbook
Version 2026.1.0
All Recipes
- Image Manipulation
- 2D Depiction
- Generating Transparent PNG
- Depicting Polar Hydrogens
- Depicting Tripos Atom Types
- Depicting Molecule with Various Styles
- Depicting Atom Contributions of XLogP
- Depicting Fragment Contributions of XLogP
- Depicting Atom Properties
- Depicting Molecule Similarity Based on Fingerprints
- Depicting Topological Polar Surface Area
- Depicting Activities of Molecules
- Depicting Reaction Components
- Depicting Library Generation
- Depicting CSV or SDF in PDF
- Depicting CSV or SDF in HTML
- Depicting CSV or SDF in XLSX (Excel)
- Depicting CSV or SDF in PPTX (PowerPoint)
- Highlighting Fragments
- Depicting Fragment Combinations
- 🆕 Depict SMILES in Interactive Web Application
- Depicting Multiple Matches
- Depicting Molecular Graph Symmetry
- Depicting Molecular Properties
- Visualizing 3D Information
- Visualizing Torsional Angle Distribution
- 🆕 Visualizing the Variability in Torsional Angle Sampling
- Visualizing Molecular Dipole Moment
- Visualizing Electron Density
- Visualizing Protein-Ligand B-factor
- Visualizing Protein-Ligand B-factor Map
- Visualizing Protein-Ligand B-factor Heat Map
- 🔄 Visualizing Protein-Ligand Interactions
- 🔄 Visualizing Protein-Ligand Contacts
- Visualizing Protein-Ligand Unpaired Interactions
- Visualizing Protein-Ligand Maps
- Visualizing Shape and Color Overlap
- Plotting (not the evil kind)
- Cheminformatics
- Identifying Acceptor and Donor Atoms
- Manipulating Large Molecule Files
- Rapid Similarity Searching of Large Molecule Files
- Enumerating Fragment Combinations
- Finding Core Fragment of a Molecule Series
- 🔄 Ring Perception
- Enumerating Atom Substitutions
- 🔄 Accessing Interaction Hint Information
- 🆕 Print Protein-Ligand Interactions to Console
- 🆕 Print the Summary of Protein-Ligand Interactions for a Set of Molecules
- 🆕 Serialize Protein-Ligand Interactions
- 🆕 Peptide Informatics
- 🆕 Theory
- 🆕 Generating Custom Monomer Set
- 🆕 Convert Monomers to OpenEye JSON Format
- 🆕 Substructure Search in Monomer Set
- 🆕 Similarity Search in Monomer Set
- 🆕 Depict Monomer
- 🆕 Depict Peptide
- 🆕 Convert HELM to SMILES
- 🆕 Convert SMILES to HELM
- 🆕 Convert HELM File to Molecule File
- 🆕 Convert Molecule File to HELM File
- 🆕 Print Monomer Set Information to Console
- 🆕 Plot Similarities in a Monomer Set
- 🆕 Print Monomer Sequence of HELMS to Console
- 🆕 Convert Peptides File to XLSX (Excel) with Monomer Sequence
- 🆕 Generate HELM in Interactive Web Application
- 🆕 Generate Random Peptides
- 🆕 Mutate Peptide
- Molecular Modeling
- Miscellaneous