/chemcli

Simple SDF parser

Primary LanguagePython

chemcli

cli tools for chemoinfomatics with less dependencies

Install

$ pip install git+https://github.com/munky69rock/chemcli.git

Usage

$ sdf sum [SDF file]
$ sdf head [SDF file] -l 1
$ sdf grep [PATTERN] [SDF file]
$ sdf grep -v [PATTERN] [SDF file]