OpenEye Python Cookbook Version 2022.2.0¶
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
- 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
- Plotting (not the evil kind)
- Cheminformatics
- Identifying Acceptor and Donor Atoms
- 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