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Eisuke Kawashima b53ee20b49 Fix Flake8 erorrs (#4252 )

* Fix PEP8 [E101](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)

* Fix PEP8 [E502](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)

* Fix PEP8 [E703](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)

* Fix PEP8 [E711](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)

* Fix PEP8 [E712](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)

* Fix PEP8 [E713](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)

* Fix PEP8 [E722](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)

* Fix PEP8 [W605](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)

2022-03-10 06:55:18 +01:00

create_deb_packages.sh

cairo support is needed to generate PNGs (#3250 )

2020-06-27 15:38:22 +02:00

FeatFinderCLI.py

Refactor FeatFinderCLI and add unittests (#1299 )

2017-02-10 08:03:59 +01:00

PythonFormat.py

Remove a bunch of Python2-related warts (#2315 )

2019-03-06 20:43:49 -05:00

README.md

Refactor FeatFinderCLI and add unittests (#1299 )

2017-02-10 08:03:59 +01:00

run_python_tests.py

Fix Flake8 erorrs (#4252 )

2022-03-10 06:55:18 +01:00

test.sh

added Scripts/test.sh (#2243 )

2019-03-22 15:58:29 +01:00

README.md

RDKit scripts

This folder contains a number of scripts that make use of RDKit functionality.

Pharmacophores

FeatFinderCLI

FeatFinderCLI reads molecules as SMILES from the first column of a tab, comma or space separated file and annotates the atoms of the molecules with their pharmacophore property.