convert2orcazmatrix Wiki
Python script that converts regular zmatrix to orca-zmatrix format.
Status: Alpha
Brought to you by:
smooph
Welcome to convert2orcazmatrix.
'Why do i need it?'
Since I use GUI tools which only save the molecules to regular zmatrix format. I created a script that would convert the regular format to the special orca format.
'What does it do?'
usage: convert2orcazmatrix.py [-h] -i INPUTFILE [-o OUTPUTFILE]
It is written in python and converts a regular format zmatrix to the special zmatrix format orca uses.
'What is going to happen with this project?'
This is my first ever SourceForge project. I basiclly just wanted to share what I had made.
But depending on the Feedback I am willing to work on the script.