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Cherry pick #6

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Cherry pick #6

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Commits on Nov 1, 2020

  1. add HKUST-1_3x3x3.cif file to provide a cif input file

    @meiirbek-islamov
    meiirbek-islamov committed Nov 1, 2020
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  2. PEP8 changes: change variable names with caps to non cap names

    @meiirbek-islamov
    meiirbek-islamov committed Nov 1, 2020
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  3. change HKUST-1_3x3x3.txt to HKUST-1_3x3x3.cif

    @meiirbek-islamov
    meiirbek-islamov committed Nov 1, 2020
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  4. Python2 to Python3: make the code work with Python3

    @meiirbek-islamov
    meiirbek-islamov committed Nov 1, 2020
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  5. Combine Introduce_Defects.py and Renumbering.py into one python file,… 

    … named remove_linkers.py
    @meiirbek-islamov
    meiirbek-islamov committed Nov 1, 2020
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  6. create a function in remove_linkers.py that can be called in CLI

    @meiirbek-islamov
    meiirbek-islamov committed Nov 1, 2020
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  7. change the output file name from missing_linkers_renumbered.cif to HK… 

    …UST-1_3x3x3_defected.cif
    @meiirbek-islamov
    meiirbek-islamov committed Nov 1, 2020
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  8. fix setup.py

    @meiirbek-islamov
    meiirbek-islamov committed Nov 1, 2020
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  9. add console_scripts

    @meiirbek-islamov
    meiirbek-islamov committed Nov 1, 2020
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  10. fix typo in remove_linkers.py and comment out N

    @meiirbek-islamov
    meiirbek-islamov committed Nov 1, 2020
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  11. add click command line interface

    @meiirbek-islamov
    meiirbek-islamov committed Nov 1, 2020
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  12. update README.md to explain what the code does

    @meiirbek-islamov
    meiirbek-islamov committed Nov 1, 2020
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  13. add a docstring for the function in remove_linkers.py

    @meiirbek-islamov
    meiirbek-islamov committed Nov 1, 2020
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