I would like to set up a server for docking process using autodock or autodock vina.
My problem is, I have to create html/php page for submission of my ligand and receptor to carry out the docking process in the autodock server.
What are the requirements and software for creating such a docking server?
Some tutorials for creating such a server would be appreciated.
Could you please clarify some points:
* Who will use your server ? Is it for public or private use ?
* What hardware do you have do you have to run the computations ? A single machine or a cluster ?
Hi,
Before doing this, you should check the FORECASTER platform:
http://fitted.ca
It is based on the docking program FITTED. They provide a web based interface.
Nathanael
You have to Protein.pdb and Ligand.pdb for autodock,
Using AutoDock4 with
AutoDockTools:
A Tutorial
Written by Ruth Huey and Garrett M. Morris
If you use PyRx then you can perform remote submission of docking for AutoDock or Vina. Since you mentioned like html / php page submission I need more information what exactly are you looking for?
Setting up such a server is quite a job, imho. Writing all those cgi and othet problems. Using Autodock vina in your own computer is much easier, imho
I would like to prepare the autodock vina server with following important facilities
I have the server with very high configuration based on cluster architecture.
Now i would to setup the autodock online server for remote submission and processing
The portal should contain the following facilities
1) user submission pages
2) job tracking and progress of the docking carried out
3) Result analysis for the 5 -10 best poses, as per requirements
Please go throught the link shwn below for the example
autodock-portal.sztaki.hu
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