OpenBabel bindings for Rust

This repository is composed of two packages: - openbabel-sys: FFI to OpenBabel C++ codes. - openbabel: Rust wrappers for easy usage.

Refer to test cases for how to use.

Binding Progress

:whitecheckmark: OBConversion :whitecheckmark: OBMol :whitecheckmark: OBFingerprint :whitecheckmark: OBSmartsPatten

References

• Code structure: libcurl bindings for Rust

OpenBabel

• Openbabel documentation
• Substructure Searching
• OBSmartsPattern Class Reference
• Multilevel Neighborhoods of Atoms (MNA) descriptors