iwatobipen / rust_rdkit

rust_rdkit

How to use

• clone rdkitcffi (https://github.com/chrissly31415/rdkitcffi)
• clone this repo

$ gh repo clone chrissly31415/rdkitcffi
$ gh repo clone iwatobipen/rust_rdkit

• edit rdkitcffi/build.rs

from relative path
    let shared_lib_dir = "./lib/rdkitcffi_linux/linux-64/";
to absolute path
    let shared_lib_dir = "/home/user/hogehoge/lib/rdkitcffi_linux/linux-64/";

edit Cargo.toml in the rust_rdkit then build the code (path of rdkitcffi)

$ cd rust_rdkit
$ cargo build

Done!

$ ./target/debug/rdkrust cdk2.sdf