/openbabel-rust

openbabel bindings for Rust

Primary LanguageC++MIT LicenseMIT

OpenBabel bindings for Rust

Latest Version Documentation License Build

This repository is composed of two packages:

  • openbabel-sys: FFI to OpenBabel C++ codes.
  • openbabel: Rust wrappers for easy usage.

*** Attentions ***

  • multi-thread mode will encounter memory issue and unexpected exit from time to time***
  • Currently not working under Windows***
  • Low-version C++ compiler could lead to unexpected compiling warnings***

Wrapping Progress

✅ OBConversion

✅ OBMol

✅ OBFingerprint

✅ OBSmartsPatten

✅ OBForceField

Logs

v0.5

  • v0.5.3: two crate "openbabel" and "openbabel-sys" synchronized.
  • v0.5.2: smartsparttern.rs: add a test case of symmetric query
  • v0.5.1: smartspattern.rs: find_match() return Vec<Vec<...>>

References