MmpbsaDecomp.py + IndentationError: expected an indented block

[Fatemeh Haghighi]

Hi

when I used the MmpbsaDecomp.py for protein ligand, I received such error. it occure for all ligands not one. could you please tell me how to resolve that error?

python MmPbSaDecomp.py -bs -nbs 2000 -m contrib_MM.dat -p contrib_pol.dat -a sasa_contrib.dat
  File "MmPbSaDecomp.py", line 216
    main()
       ^
IndentationError: expected an indented block

Best Regards

[Natalie Tatum]

Hi Fatemeh,

This is an error caused by the running of the python script. Have you edited the .py file in any way? And are you using the correct version of python to run the script? Some differences between Python 2.7 and Python 3 mean you have to match your call of python to the version the script was written in. I think I remember this happening to me and I think I edited the script to run using Python3.

Try running the script as:

python2.7 MmPbSaDecomp.py -bs -nbs 2000 -m contrib_MM.dat -p contrib_pol.dat -a sasa_contrib.dat   

Does that work for you?

Natalie

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Dr. Natalie J. Tatum

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Northern Institute for Cancer Research

Newcastle University

[Fatemeh Haghighi]

Hi,

Thank you very much for your response. I didn't edited the script. I don't know which version of python  I used. I will try with version 2.7

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From: g_mm...@googlegroups.com <g_mm...@googlegroups.com> on behalf of Natalie Tatum <natali...@gmail.com>
Sent: Monday, August 19, 2019 9:53:15 AM
To: g_mm...@googlegroups.com <g_mm...@googlegroups.com>
Subject: Re: [g_mmpbsa] MmpbsaDecomp.py + IndentationError: expected an indented block

 

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[Nikhil Maroli]

Wrong version of python is the reason.

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[Fatemeh Haghighi]

Maybe I used the version 3.

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Sent: Monday, August 19, 2019 11:55:48 AM

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[Nikhil Maroli]

If you have python 3,in default system use pythn3.

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[Fatemeh Haghighi]

Hi,

I tried with python 2.7.10 and 2.7.11,but the same error I received.

Best wishes

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Sent: Monday, August 19, 2019 11:58:07 AM

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[daniel madulu shadrack]

Hi there is a small bug. Try to fix. Check the first lines of the code..

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[hassan rasouli]

Dear F. Haghighi, 

Regarding your request, a simple way to solve your problem is that you try to install the latest version of the Python program, add its installation path to your operating system environmental path directory. Then, try to run that script you have. If this method doesn't work well, following the provided tutorial by the developer website may help you with further advancements. Before running, be assured that your work-folder contains all essential files for proceeding this script. 

Regards,

H.R.  

Twitter............ResearchGate............ORCID............Talenthouse

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