OEChem Toolkit 5.0.0.0
- Introduction
- Theory
- OEChem Theory
- Molecules
- Molecule Reading and Writing
- Tagged Data Manipulation
- Atom and Bond Traversal
- Atom, Bond, and Conformer Indices
- Atom Properties
- Bond Properties
- Valence Models
- Molecule Properties
- Ring Perception
- Aromaticity Perception
- Connectivity Perception
- Stereochemistry Perception
- Formal and Partial Charges
- 2D Coordinate Generation
- Molecule Styling
- Pattern Matching
- Substructure Search with MDL Queries
- Reactions
- Multi-conformer Molecules
- Molecular Database Handling
- Design Decisions
- Multi-Threading
- Predicate Functors
- OEMolRecord
- Periodic Table Functions
- SMILES Line Notation
- SMARTS Pattern Matching
- Atom Stereo From Bond Stereo
- InChI validation
- OESystem Theory
- OEBio Theory
- OEGrid Theory
- OEChem Theory
- Examples
- OEChem Examples
- OEBio Examples
- Extracting Protein Backbone
- Extracting Ligand from OEDesignUnit
- Printing protein amino acids histograms
- Splitting a Macro-molecular Complex
- Splitting a Macro-molecular Complex Efficiently and Flexibly
- Split a Macro-molecular Complex Into Fragments
- Preparing a Protein
- Perceive and Print Protein-Ligand Interactions
- OEMath Examples
- Python Cookbook Examples
- API
- Release History
- OEChem TK 5.0.0
- OEBio TK
- OEChem TK 4.3.0
- OEBio TK 4.3.0
- OEGrid 4.3.0
- OEChem TK 4.2.0
- OEBio TK 4.2.0
- OEChem TK 4.1.1.1
- OEChem TK 4.1.1.0
- OEPlatform TK 4.1.1
- OEBio TK 4.1.1
- OEChem TK 4.1.0
- OESystem TK 4.1.0
- OEMath TK 4.1.0
- OEBio TK 4.1.0
- OEGrid TK 4.1.0
- OESystem TK 4.1.0
- OEMath TK 4.1.0
- OEChem TK 4.0.0
- OEBio TK 4.0.0
- OESystem TK 4.0.0
- OEPlatform TK 4.0.0
- OEGrid TK 4.0.0
- OEChem TK 3.4.0
- OESystem TK 3.3.1
- OEPlatform TK 3.3.1
- OEChem TK 3.3.1
- OEBio TK 3.3.1
- OESystem TK 3.3.1
- OEPlatform TK 3.3.1
- OEChem TK 3.3.0
- OEBio TK 3.3.0
- OESystem TK 3.3.0
- OEPlatform TK 3.3.0
- OEGrid TK 3.3.0
- OEChem TK 3.2.0
- OEBio TK 3.2.0
- OESystem TK 3.2.0
- OEPlatform TK 3.2.0
- OEGrid TK 3.2.0
- OEMath TK 3.2.0
- OEChem TK 3.1.1
- OEBio TK 3.1.1
- OESystem TK 3.1.1
- OEPlatform TK 3.1.1
- OEGrid TK 3.1.1
- OEMath TK 3.1.1
- Version 3.1.0.2
- Version 3.1.0
- Version 3.0.0.6
- Version 3.0.0.5
- Version 3.0.0
- Version 2.3.0
- Version 2.2.0
- Version 2.1.5
- Version 2.1.4
- Version 2.1.3
- Version 2.1.2
- Version 2.1.1
- Version 2.1.0
- Version 2.0.7
- Version 2.0.6
- Version 2.0.5
- Version 2.0.4
- Version 2.0.3
- Version 2.0.2
- Version 2.0.1
- Version 2.0.0
- Version 1.9.3
- Version 1.9.2
- Version 1.9.1
- Version 1.9.0
- Version 1.8.0
- Version 1.7.7
- Version 1.7.6
- Version 1.7.5
- Version 1.7.4
- Version 1.7.3
- Version 1.7.2
- Version 1.7.1
- Version 1.7.0
- Version 1.6.1
- Version 1.6.0
- Version 1.5.1
- Version 1.5.0
- Version 1.4.2
- Version 1.4.1
- Version 1.4.0
- Version 1.3.4
- Version 1.3.3
- Version 1.3.2
- Version 1.3.1
- Version 1.3.0