[Dock-fans] Inputing docking results into Sybyl

Terry Lang terry at cgl.ucsf.edu
Thu Oct 6 20:26:24 PDT 2005


Dear Mike,

          I am not familiar with the Sybyl spreadsheet function.  The 
multi-mol2 file can be read into Sybyl, but I am not sure whether Sybyl 
will recognize the Energy Score as a value.  For MS Excel, as a first 
approximation, you can grep the values out and open them as .txt files.  
Any more advanced processing would have to be done with scripting.

Sincerely,
Terry

Mikell Paige wrote:

> Is there a simple way to input database docking results into a Sybyl 
> spreadsheet. I used Chimera and saw the results in the scored_out.mol2 
> file, but would like to have the results in a Sybyl spreadsheet or 
> even in MS Excel for further manipulation. Thanks.
> Mike
>
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-- 
P. Therese Lang
Kuntz and James Labs
UCSF--Chemistry and Chemical Biology
Phone: (415)476-3986

 





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