OpenBabel bindings for Rust

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

multi-thread mode will encounter memory issue and unexpected exit from time to time

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