ADL: prepare_ligand and python tools

scopio scopio at 163.com
Wed Feb 9 22:24:38 PST 2005


Dear John:

I use ADT prepairing the ligands. First I prepaire one ligand, then copy  
the steps recorded in log file followed by writing a shell script dumping  
the steps to a python script for each ligand with proper ligand name.  
Next, load the python script in ADT(popup message should be disabled).  
Then, you can get all pdbq files for each ligand. Hope this helps!

Cheers for Chinese new year!

Liu

On Wed, 9 Feb 2005 19:13:12 -0000, John Simms <JXS818 at bham.ac.uk> wrote:

> Hi All,
> Has anyone used the python tools for preparing the ligand and receptor  
> in the new ADT 1.3. I just cant get them to wor, do i need to access  
> them through ADT ?. Any tips
> John
>
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-- 
JunJun Liu

College of Chemistry
Central China Normal University
WuHan   430079
P.R. China




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