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Theoretical Biophysics Group
Web Control of VMD Tutorial
NIH Resource for Macromolecular Modeling and Bioinformatics
UIUC
This is a step-by-step guide for setting up interactive on-line presentations that use VMD. Please see the Web Control of VMD page for more information.

Step 1: Installing and configuring VMD

Before you begin making interactive web pages, you will need to download and install VMD. If you are using Windows, you must have version 1.7.1 or later.

Step 2: Configuring your browser

After installing VMD, you will need to configure your browser to use VMD. Almost any web browser will work, but some require special options. Follow the instructions carefully, and make sure that everything is working before proceeding to the next step. To try out VMD with your browser, take a look at our demo page.

Step 3: Download the demo page

To get started writing VMD-enabled web pages, download a copy of the demo page as demo.zip or demo.tgz, and unpack it in a web-accessible directory. If you are using the Apache webserver, the demo should work immediately. Enter the URL that corresponds your copy of the demo, and it should work just as before.

Step 4: Add your own molecule

You can now begin creating your own presentation. The first thing you will probably want to do is to remove the included one_glpf.pdb and replace it with your own molecule (probably another PDB file.) To make the web page load your molecule, edit the included file control.vmd. Change the URL in line (about half-way down the file)
  newurlload pdb "http://www.ks.uiuc.edu....."
to refer to your molecule. For example, if your copy of the demo is on the web at http://www.foo.net/demo/, and you copied the file mymolecule.pdb into the demo directory, you replace that line with
  newurlload pdb "http://www.foo.net/demo/mymolecule.pdb"
Remove the commands below this that set up the representations for GlpF correctly - you will want to use different representations for you own molecule. Reload your demo page, and you should see VMD load your molecule instead of GlpF.

Step 5: Select a list of VMD commands

You will now start creating the list of commands that you want your web page to send to VMD. If you are not very familiar with VMD scripting, there is an easy way to create good commands: type logfile logfile.txt, then use VMD to display your molecule in interesting ways. The commands the VMD executes will be saved to the file logfile.txt. Look through this file for the commands you want. You may try them out by typing them directly into VMD's text console.

Step 6: Add your commands to the script

Once you have selected some useful VMD commands, you can add them to the script control.vmd. At the end of this file are lines like
  proc filteron  { } { mol modstyle 3 top "VDW" }
Add your own procs to these:
  proc mycommand  { } {
      my command 1
      another command 5.5
  }
  ...
Pick descriptive names (better than mycommand) for the procs - you will use the names to refer to these commands in your web page.

Step 7: Make your commands into links

For each proc that you defined in control.vmd, make a link in main.html like this:
  <a href="http://127.0.0.1:2000/mycommand"
   target="invisible">link text</a>
Reload your web page. Clicking on the links should now run the VMD commands that you selected.

Step 8: Write the text of your web page

Replace the rest of main.html with your own text, and put the links you have made to your VMD commands in useful places, to create an interactive tour of your molecule. Make sure to keep a link back to
  http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/webvmd/
so that visitors to your page will be able get help configuring their browsers to display your molecule.

Step 9: Add graphics to your web page

To finish the page, use VMD to render a picture or two of your molecule, and add it to your web page. This will help guide visitors through your tour, and will make it possible for people without VMD to see what you are talking about.

For more information...

If you need help getting this to work, take a look at our web page or send us email at vmd@ks.uiuc.edu


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