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

:white_check_mark: OBConversion :white_check_mark: OBMol :white_check_mark: OBFingerprint :white_check_mark: OBSmartsPatten

References

• Code structure: libcurl bindings for Rust

OpenBabel

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