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convert2orcazmatrix

Python script that converts regular zmatrix to orca-zmatrix format.

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]

Downloads: 0 This Week

Last Update: 2013-05-30
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