convert2orcazmatrix download

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.

It is written in python and can be used like this.
usage: convert2orcazmatrix.py [-h] -i INPUTFILE [-o OUTPUTFILE]

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Additional Project Details

Languages

English

Intended Audience

Science/Research

User Interface

Console/Terminal

Programming Language

Python

Related Categories

Python Chemistry Software

Registered

2012-11-24

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