adaliaramon / sdf-hydrogen-remover

sdf-hydrogen-remover

Installation

cargo install sdf-hydrogen-remover

Usage

See sdf-hydrogen-remover --help.

Building

After cloning the repository, run

cargo build --release

The result will be found in target/release/sdf-hydrogen-remover.

Changelog

0.1.0

• Implemented removing hydrogen atoms from a single SDF, containing a single compound.