Reaction Decoder Tool
RDT是一个强大的挖掘反应特性的开源软件,如原子映射,键的变化,反应中心,在python程序中需要调用jar包使用
import os
import subprocess
"""
usage: java -jar ReactionDecoder.jar [-c] [-f <arg>] [-g] [-h] [-j <arg>] [-m]
[-p <arg>] [-Q <arg>] [-q <arg>] [-u]
HELP
-c,--complexMode Use Rings etc. bit time comsuming
-f,--formatO <arg> Output format (TEXT/XML)
-g,--image create png of the mapping
-h,--help Help page for command usage
-j,--job <arg> Task (AAM)
-m,--mappings Report all mappings
-p,--prefix <arg> Job prefix
-Q,--formatQ <arg> Query Type (RXN/