ADL: docking protein with mwtal at specific site

Nok :p justmin28 at hotmail.com
Sat Sep 11 06:10:59 PDT 2010


Hi,

 

I tried to dock protein with mg+2 as well. It is ok for the value of binding energy but is not ok for RMSD.

 

For the method, after you prepare protein.pdbqt you have to edit this file in the last line by change the charge from zero to the value of charge of your metal.

 

For exxample, change to 2.00 if your metal is Mg.

 

Best wish,

 

Nok 

 


 
> Date: Sat, 11 Sep 2010 12:01:34 +0500
> From: ha.naveed at gmail.com
> To: autodock at scripps.edu
> Subject: ADL: docking protein with mwtal at specific site
> 
> hi
> i am new to docking and i want to dock protein with metal eg Zn+2 or
> Cu+2 at specific site, can anyone guide me in this regrad??
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