OpenEye Python Cookbook¶
The OpenEye Python Cookbook is a collection of solutions and practical examples for solving cheminformatics and molecule modeling problems using various OpenEye toolkits.
To install OpenEye’s Python package, please see instructions in the Getting Started with OpenEye Python section of the main OpenEye documentation.
Recipes of Previous Releases¶
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
- OEViz - A Simple Depiction Web Service
- Depicting Multiple Matches
- Depicting Molecular Graph Symmetry
- Depicting Peptides
- Depicting Molecular Properties
- Visualizing 3D Information
- Visualizing Torsional Angle Distribution
- 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 Contacts
- Visualizing Protein-Ligand Unpaired Interactions
- Visualizing Protein-Ligand Interactions
- Visualizing Protein-Ligand Maps
- Visualizing Shape and Color Overlap new
- Plotting (not the evil kind)
- Cheminformatics
- Identifying Acceptor and Donor Atoms new
- Accessing Interaction Hint Information
- Manipulating Large Molecule Files
- Rapid Similarity Searching of Large Molecule Files
- Similarity Searching of Large Molecule Files
- Enumerating Fragment Combinations
- Finding Core Fragment of a Molecule Series
- Ring Perception
- Enumerating Atom Substitutions
- Molecular Modeling
- Miscellaneous