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A package for Cheminformatics.

Project description


Script to scrap CP properties of multiwfn output

Install via setuptools

$ git clone
$ cd scripyt-MWFN
$ python3 install

Install via pip

$ pip install scripyt-MWFN

Run script


  • -p: Path to Multiwfn output file
  • -cp: CPs desired to extract the information
$ 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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scripyt-MWFN-1.0.1.tar.gz (2.7 kB view hashes)

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scripyt_MWFN-1.0.1-py3-none-any.whl (15.5 kB view hashes)

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