[Dock-fans] Exporting dock6 output results to excel

William Joseph Allen william.joseph.allen at gmail.com
Wed Jul 24 14:20:56 PDT 2013


Hi Yuta,

I would write a short script (shell, perl, python, etc.) to first extract
the data from the dock.out or output_scored.mol2 file, then write it to an
excel-compatible .csv file. If you cut-and-paste a snippet of your output
file, then I can try to dig up an existing script that will be useful to
you.

Joe Allen


On Wed, Jul 24, 2013 at 4:45 PM, Yuta Naro <yrn1 at pitt.edu> wrote:

> Hi all,
>
> I recently ran a virtual screen with 2,000+ compounds and would like to
> analyze the data in excel.
>
> Is there a simple way to export all the dock6 output scores to excel? I've
> had no luck searching for a previously discussed method.
>
> Thanks,
> Yuta
>
>
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>
>


-- 
William Joseph Allen, Ph.D.
Postdoctoral Associate
Dept. of Applied Mathematics and Statistics
Stony Brook University
http://ringo.ams.sunysb.edu/~wjallen/
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