# Running PDB\_delocc.py Python Script on Windows 10

**URL:** <https://ask.bioexcel.eu/t/running-pdb-delocc-py-python-script-on-windows-10/108>\
**Category:** HADDOCK\
**Created:** [May 26, 2016, 9:19am UTC](https://ask.bioexcel.eu/t/running-pdb-delocc-py-python-script-on-windows-10/108 "2016-05-26T09:19:46Z")\
**Posts on this page:** 6\
**Page:** 1

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**Author:** ![Mikhail\_Humphries](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/mikhail_humphries/32/54_2.png) [@Mikhail\_Humphries](https://ask.bioexcel.eu/u/Mikhail_Humphries)\
**Post date:** [May 26, 2016, 9:19am UTC](https://ask.bioexcel.eu/t/running-pdb-delocc-py-python-script-on-windows-10/108/1 "2016-05-26T09:19:46Z")

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The HADDOCK category is meant to discuss any HADDOCK-related issue. For general information about HADDOCK refer to [http://www.bonvinlab.org/software/haddock2.2](http://www.bonvinlab.org/software/haddock2.2)

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**Author:** ![amjjbonvin](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/amjjbonvin/32/23_2.png) [@amjjbonvin](https://ask.bioexcel.eu/u/amjjbonvin)\
**Post date:** [May 26, 2016, 9:49am UTC](https://ask.bioexcel.eu/t/running-pdb-delocc-py-python-script-on-windows-10/108/2 "2016-05-26T09:49:33Z")

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Hi, it seems like you forgot to state the problem… The title kind of says it.  
Is this about multiple side-chain occurances in crystal structures?

If yes, then you can use our `pdb_delocc.py` script from our PBD tools repo available from

> **[haddocking/pdb-tools](https://github.com/haddocking/pdb-tools)**
>
> A dependency-free cross-platform swiss army knife for PDB files. - haddocking/pdb-tools

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<div class="post-metadata">

**Author:** ![Mikhail\_Humphries](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/mikhail_humphries/32/54_2.png) [@Mikhail\_Humphries](https://ask.bioexcel.eu/u/Mikhail_Humphries)\
**Post date:** [June 5, 2016, 6:46am UTC](https://ask.bioexcel.eu/t/running-pdb-delocc-py-python-script-on-windows-10/108/3 "2016-06-05T06:46:29Z")

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Hi,

I don’t know much about computers. How exactly do I run this script? Should I place the PDB file in the same file as the script and then run the script using python?

Thanks,  
Mikhail

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<div class="post-metadata">

**Author:** ![Mikhail\_Humphries](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/mikhail_humphries/32/54_2.png) [@Mikhail\_Humphries](https://ask.bioexcel.eu/u/Mikhail_Humphries)\
**Post date:** [June 5, 2016, 6:55am UTC](https://ask.bioexcel.eu/t/running-pdb-delocc-py-python-script-on-windows-10/108/4 "2016-06-05T06:55:16Z")

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![](https://europe1.discourse-cdn.com/flex013/uploads/bioexcel/original/1X/34f0d404cdb511cc8c9ffc3214a3796d6a707855.png)

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**Author:** ![joaor](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/joaor/32/194_2.png) [@joaor](https://ask.bioexcel.eu/u/joaor)\
**Post date:** [June 5, 2016, 7:41am UTC](https://ask.bioexcel.eu/t/running-pdb-delocc-py-python-script-on-windows-10/108/5 "2016-06-05T07:41:49Z")

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Hi there,

You should use the script in the command line (Powershell?), with the PDB file as an argument:

`python pdb_delocc.py 1abc.pdb > 1abc_new.pdb`

Cheers,

João

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<div class="post-metadata">

**Author:** ![Mikhail\_Humphries](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/mikhail_humphries/32/54_2.png) [@Mikhail\_Humphries](https://ask.bioexcel.eu/u/Mikhail_Humphries)\
**Post date:** [June 5, 2016, 8:03am UTC](https://ask.bioexcel.eu/t/running-pdb-delocc-py-python-script-on-windows-10/108/6 "2016-06-05T08:03:50Z")

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Thanks

Alexandre Bonvin and Joao Rodrigues

It worked.