ADL: summarize_results4.py

Simon Kolstoe s.kolstoe at ucl.ac.uk
Wed May 21 09:40:27 PDT 2008


Dear autodock list,

I have just used the script summarize_results4.py as per the tutorial  
"Using AutoDock 4 for Virtual Screening"

The top of my file reads:

largestCl_dlgfn    #runs #cl #LC    LE_LC     rmsd_LC #ats #tors
ZINC00000077_rigid/ZINC00000077_rigid, 20, 14,  3, -6.0700, 56.6501,   
25, 6
ZINC00000123_rigid/ZINC00000123_rigid, 20,  4,  8, -5.7200, 51.5977,   
25, 1

I have two questions:

1. Could someone tell me what the abbreviations in the column titles  
stand for?

2. When I look through the specific docking logs I cannot actually  
find these values. For instance when I do a text search for -6.0700 in  
the log file corresponding to the first ligand I cannot find the  
value. How exactly does summarize_results4.py calculate these?

Thanks!

Simon


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