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A package for Cheminformatics.

Project description

scripyt-MWFN

Script to scrap CP properties of multiwfn output

Install via setuptools

$ git clone https://github.com/jeffrichardchemistry/scripyt-MWFN
$ cd scripyt-MWFN
$ python3 setup.py install

Install via pip

$ pip install scripyt-MWFN

Run script

Parameters:

$ scripyt-MWFN -p path/to/Multiwfn_output_file -cp 1 2 3 4 5 6

Saving terminal output into a file:

$ scripyt-MWFN -p path/to/Multiwfn_output_file -cp 1 2 3 4 5 6 > log.txt

Project details


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Files for scripyt-MWFN, version 1.0.1
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Filename, size scripyt_MWFN-1.0.1-py3-none-any.whl (15.5 kB) File type Wheel Python version py3 Upload date Hashes View
Filename, size scripyt-MWFN-1.0.1.tar.gz (2.7 kB) File type Source Python version None Upload date Hashes View

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