MediaWiki

Running Jmol / JSmol

• Jmol as a standalone application.
• J(S)mol as a web applet or HTML5 object.
  • compatibility with JavaScript frameworks or libraries.
• J(S)mol embedded in wikis or blogs.
• Borrowed JSmol, or running JSmol without your own server.
• Running Jmol using Java Web Start.
• JSmol in a Jupyter notebook.
• Jmol in an Android tablet.
• Troubleshooting.

Description

MediaWiki is an open source wiki engine licensed under the GNU General Public License. It is used by many websites, including this one.

The Jmol Mediawiki Extension enables the use of the Jmol applet inside of Mediawiki pages. This simple page demonstrates how to use the extension.

Current status: the Jmol Mediawiki Extension is fully functional and stabilized. It currently needs to be modified for a few things: better security, ability to delay loading the applet.

Wikis using the Jmol Extension

If you know a Wiki using the Jmol MediaWiki Extension, please add it to the list of Wikis using Jmol.

How to use the Jmol Extension

Once the Jmol Extension is installed in the Wiki, you can start adding Jmol applets and controls.

Simple usage

Jmol applet in a MediaWiki page

To add a Jmol applet to a MediaWiki page, just add the following:

<jmol>
  <jmolApplet>
    <uploadedFileContents>file uploaded in the wiki containing the molecular data</uploadedFileContents>
  </jmolApplet>
</jmol>

or

<jmol>
  <jmolApplet>
    <wikiPageContents>page of the wiki containing the molecular data</wikiPageContents>
  </jmolApplet>
</jmol>

or

<jmol>
  <jmolApplet>
    <inlineContents>contents of the molecular file</inlineContents>
  </jmolApplet>
</jmol>

or

<jmol>
  <jmolApplet>
    <urlContents>URL of the molecular file</urlContents>
  </jmolApplet>
</jmol>

Controls for the Jmol applet

To add buttons to send scripts to the applet, just add the following:

<jmol>
  <jmolButton>
    <script>script to execute</script>
    <text>text of the button</text>
  </jmolButton>
</jmol>

To add links to send scripts to the applet, just add the following:

<jmol>
  <jmolLink>
    <script>script to execute</script>
    <text>text of the link</text>
  </jmolLink>
</jmol>

To add checkboxes to send scripts to the applet, just add the following:

<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>script to execute when the checkbox is checked</scriptWhenChecked>
    <scriptWhenUnchecked>script to execute when the checkbox is unchecked</scriptWhenUnchecked>
    <text>text of the checkbox</text>
  </jmolCheckbox>
</jmol>

To add radio groups to send scripts to the applet, just add the following:

<jmol>
  <jmolRadioGroup>
    <item>
      <script>script to execute when the radio button is selected</script>
      <text>text of the radio button</text>
    </item>
    <item>
      <script>script to execute when the radio button is selected</script>
      <text>text of the radio button</text>
    </item>
  </jmolRadioGroup>
</jmol>

To add menus to send scripts to the applet, just add the following:

<jmol>
  <jmolMenu>
    <item>
      <script>script to execute when the menu item is selected</script>
      <text>text of the menu item</text>
    </item>
    <item>
      <script>script to execute when the menu item is selected</script>
      <text>text of the menu item</text>
    </item>
  </jmolMenu>
</jmol>

Applets and other controls can be combined in a single <jmol> tag.

Jmol applet in a popup window

To add a button that opens a new window with a Jmol applet, use the <JmolAppletButton> tag instead of the <JmolApplet> tag and also add the <text> tag in it. For example:

<jmol>
  <jmolAppletButton>
    <uploadedFileContents>file uploaded in the wiki containing the molecular data</uploadedFileContents>
    <text>text displayed in the button</text>
  </jmolAppletButton>
</jmol>

To add a link that opens a new window with a Jmol applet, use the <JmolAppletLink> tag instead of the <JmolApplet> tag and also add the <text> tag in it. For example:

<jmol>
  <jmolAppletLink>
    <uploadedFileContents>file uploaded in the wiki containing the molecular data</uploadedFileContents>
    <text>text displayed in the link</text>
  </jmolAppletLink>
</jmol>

Reference

The <jmol> tag can contain the following:

• <jmolApplet> : Jmol Applet.
  • <signed> (true, false) : On the first Jmol applet to use the signed or unsigned version of the applet. This attribute can be disabled by the Wiki administrator with the $wgJmolAuthorizeChoosingSignedApplet setting in LocalSettings.php.
  • <color> : To change the background color of the Jmol applet.
  • <uploadedFileContents> : Name of an uploaded file in this wiki containing the molecular data to load in the Jmol applet. The Wiki needs to be configured to authorize the upload of molecular data files (using $wgFileExtensions in LocalSettings.php). This attribute can be disabled by the Wiki administrator with the $wgJmolAuthorizeUploadedFile setting in LocalSettings.php.
  • <wikiPageContents> : Name of a page of this wiki containing the molecular data to load in the Jmol applet.
  • <urlContents> : URL of the molecular file to load. This attribute can be disabled by the Wiki administrator with the $wgJmolAuthorizeUrl setting in LocalSettings.php.
  • <inlineContents> : Molecular data to load in the Jmol applet.
  • <size> : Size of the applet.
  • <script> : Script to execute at startup.
  • <name> : Name of the Jmol applet (useful if you want to use several Jmol applets in the same page).
• <jmolButton> : Button.
  • <script> : Jmol script to execute when the button is clicked.
  • <text> : Text of the button.
  • <name> : Name of the button.
  • <target> : Name of the Jmol applet linked with the button (useful only if you want to use several Jmol applets in the same page).
• <jmolLink> : Link. Same tags as <jmolButton>.
• <jmolCheckbox> : Checkbox.
  • <scriptWhenChecked> : Jmol script to execute when the checkbox is checked.
  • <scriptWhenUnchecked> : Jmol script to execute when the checkbox is unchecked.
  • <checked> (true, false) : Indicates if the checkbox is checked by default.
  • <text> : Text of the button.
  • <name> : Name of the button.
  • <target> : Name of the Jmol applet linked with the button (useful only if you want to use several Jmol applets in the same page).
• <jmolMenu> : Menu.
  • <item> : Menu item.
    • <script> : Jmol script to execute when the menu item is selected.
    • <text> : Text of the menu item.
    • <checked> (true, false) : Indicates if the menu item is checked.
  • <name> : Name of the menu.
  • <target> : Name of the Jmol applet linked with the menu (useful only if you want to use several Jmol applets in the same page).
  • <menuHeight> : Number of visible menu items (1: combo-box, 2 or greater: list with the specified number of lines, -1: calculated).
• <jmolRadioGroup> : Radio group.
  • <item> : Radio button.
    • <script> : Jmol script to execute when the radio button is selected.
    • <text> : Text of the radio button.
    • <checked> (true, false) : Indicates if the radio button is checked.
  • <name> : Name of the radio group.
  • <target> : Name of the Jmol applet linked with the radio group (useful only if you want to use several Jmol applets in the same page).
  • <vertical> (true, false) : Indicates if the radio buttons are stacked vertically or horizontally.
• <jmolAppletButton> : A button for opening a new window with a Jmol Applet. It can contains the same tags as the <jmolApplet> tag, and also the following tags :
  • <text> : Text of the button.
  • <title> : Title of the new window (doesn't work for the moment).
  • <x> and <y> : Position of the new window.
• <jmolAppletLink> : A link for opening a new window with a Jmol Applet. Same tags as <jmolAppletButton>.

Test Pages

1. Uploaded XYZ File -- includes test of jmolCheckbox()
2. Uploaded MDL Molfile
3. Uploaded CML File
4. Inlined MDL Molfile
5. Inlined CML File
6. Test page (Brian's)
7. Test page (Sandbox)

Installation

The Jmol extension is using an other extension Stub Manager, so you first need to install Stub Manager.

Download Jmol and extract all the files in a temporary directory.

Create the directory Jmol in $mediawiki/extensions, and copy the following files in it:

• COPYRIGHT.txt
• Jmol.js
• All the JmolApplet0*.jar files
• All the JmolAppletSigned0*.jar files, if you want to be able to use the signed applet.
• LICENSE.txt
• README.txt
• All the files for the extension, which can be found here.

Add the following line to the end of LocalSettings.php:

require_once('extensions/Jmol/Jmol.php');

You can configure the Jmol extension with several settings added after the above line (default value in bold):

• $wgJmolAuthorizeChoosingSignedApplet (true, false) : Authorize users to choose between the unsigned and the signed Jmol applet.
• $wgJmolAuthorizeUploadedFile (true, false) : Authorize the use of <uploadedFileContents>.
• $wgJmolAuthorizeUrl (true, false) : Authorize the use of <urlContents>.
• $wgJmolDefaultAppletSize (400) : Size in pixels of the Jmol applet.
• $wgJmolDefaultScript : Default script.
• $wgJmolExtensionPath : Path to the directory where the Jmol extension is installed.
• $wgJmolForceNameSpace : Force the NameSpace where the applet will go looking for wiki pages containing molecular data (using <wikiPageContents>).
• $wgJmolShowWarnings (true, false) : Display warnings when users try to use disabled features.
• $wgJmolUsingSignedAppletByDefault (true, false) : Choose if the signed Jmol applet will be used by default. Note: the signed Jmol applet is signed with a default certificat. If you want to use the signed Jmol applet in your wiki, I suggest resigning the Jmol applet with your own certificate.

Note: If you want to authorize users to upload files containing molecular data (for using the <uploadedFileContents> tag), you need to do the following:

• By default, MediaWiki authorizes the uploading of files whose name ends with a limited number of extensions. For example, if you want to authorize uploading *.cml files, add $wgFileExtensions[] = 'cml'; in LocalSettings.php.
• You can add an icon in the skins/common/images/icons/ directory for each extension (for example, fileicon-cml.png). In this wiki, we are using this image, which leads to the following result.

Problems yet to be solved

• The scripts associated to checkboxes rendered by <jmolCheckbox> have no effect on the applet. This was the discussion of the problem:

(Bob) something in /skins/common/wikibits.js?97 is disabling checkboxes.
(Nico) Yes, good catch, thanks a lot. Now, I need to find a way to overcome the behaviour of setupCheckboxShiftClick(). I am going to ask on mediawiki list.
(Bugzilla) discussion

The problem is due to a conflict in the onClick event for checkboxes correctly written by the Jmol Extension and a javascript library (wikibits.js) included in MediaWiki. Solution is pending.

• Since Jmol scripting can include a call to javascript commands, the Jmol applet inserted by the Jmol MediaWiki Extension can execute arbitrary javascript added by any user editing the page (see demo). This is an unacceptable security hole for some systems such as Wikipedia, and will prevent Jmol from being used there. There is hence a need to implement a "scripting-without-javascript" mode of the applet, i.e. a way to completely disable the javascript command in Jmol scripts run from the MediaWiki Extension.

• The developers at WikiMedia / WikiMedia Commons / Wikipedia apparently advocate the use of a simpler way of inserting Jmol applets, by just linking to the (previously uploaded) model file (as it is done e.g. with images) and having the server decide upon the way to handle it, with something simpler than the current Extension (see a discussion about this).

However, in my opinion rendering of a 3D molecular model clearly calls for something more flexible than a simple, barebone viewer with default settings. Maybe we would have to resort to a simpler extension for Wikipedia and a full one for other wikis?

• An interesting feature would be the server-side automation of the snapshot ability of the Jmol application, so that images are generated into the wiki page as a thumbnail that will link to --or be replaced by-- the applet when the user clicks on the image, or on a link below it (see an example of this idea, though not server-generated).

• The function jmolWikiPopupWindow() in JmolMediaWiki.js throws an error in Internet Explorer: "Invalid argument" in line 37, which prevents the pop-up. This line says

var w = open("", windowTitle, opt);

Both variables seem to have the correct values. Other browsers do not give any errors. (See it e.g. in Sandbox, link "Show in 3D using Jmol").

This happens because of the link (= window title = window name) having spaces and/or parentheses. I've got the clue to fix it, coming soon.

Already solved

These are left here for reference, as you may still have these problems depending on your version of MediaWiki or your version of the Jmol MediaWiki Extension.

• A recent report showed that the installation does not work when the wiki is installed in a non-root folder of the server (e.g. http://www.myserver.com/mywiki/index.php instead of http://mywiki.myserver.com/index.php). This is solved (2008-Nov-29) with an update in Jmol.php (available from SVN).

External links

• Wikipedia: Using Jmol to display molecular models
• Wikipedia: WikiProject Chemistry

Contributors

AngelHerraez, NicolasVervelle, Rzepa, Mevans86, Ngreeves, Pimpim, SklogWiki, Jacksmind, EricMartz