Re: [Opaltoolkit-users] Opal Autodock running

[Luca C. <lcl...@uc...>]

banafshe bamdad wrote:
> Hi,
> 
> Opal could not find map files during autodock running. So, I exchanged
> "autodock_special_config.xml" and added some param tag to get map
> files instead take map files url. Is it true?
> 
> thanks
> 

Dear Banafshe,
these files are samples you are free to change them as you prefer.

Autodock accept a URL because instead of asking to the user to input all 
the gridmap files, we ask him a URL of a Autogrid output directory. Then 
as a binary location we use the configs/run_autodock.py instead of 
pointing directly to autodock4 binary (that script uses wget to download 
all the mapfiles from autogrid). One last thing you have to remember is 
to change the tomcat default file listing, to do so you have to change 
the web.xml:

         <init-param>
             <param-name>listings</param-name>
             <param-value>true</param-value>
         </init-param>
         <init-param>
             <param-name>globalXsltFile</param-name>
             <param-value><path to the attached file></param-value>
         </init-param>
so that it points to the attached xslt file.


But again this is not required, this is only how we set up our Autodock 
service.

Sincerely,
Luca