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,
ZINC00000123_rigid/ZINC00000123_rigid, 20, 4, 8, -5.7200, 51.5977,
I have two questions:
1. Could someone tell me what the abbreviations in the column titles
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?
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