version 1.2, 2007/10/11 00:42:00
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version 1.3, 2014/08/22 18:12:59
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==============================================================================
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==============================================================================
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=== Jmol ===
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=== Jmol ===
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==============================================================================
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==============================================================================
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Jmol: an open-source Java viewer for chemical structures in 3D,
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with features for chemicals, crystals, materials and biomolecules.
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==============================================================================
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Jmol is an open-source molecule viewer and editor written in Java.
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Jmol is an open-source molecule viewer and editor written in Java.
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Line 16 to jmol-developers@lists.sf.net
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Line 18 to jmol-developers@lists.sf.net
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List of files included:
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List of files included:
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-------------------
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-------------------
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- README.txt
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This file.
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- COPYRIGHT.txt
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1 == Files with information ==
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Copyright informations.
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1.1 === README.txt ===
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This file.
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1.2 === LEAME.txt ===
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The Spanish version of README.txt
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1.3 === COPYRIGHT.txt ===
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The copyright explanations regarding Jmol and its 3rd-party components.
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1.4 === LICENSE.txt ===
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The GNU Lesser General Public License, under which Jmol is released.
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1.5 === CHANGES.txt ===
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A list with a history of the feature additions in each version of Jmol.
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1.6 === README-CHEMDOODLE.txt ===
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Instructions about using the ChemDoodle plug-in together with Jmol applets,
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and about the license for ChemDoodle (which is different from the Jmol license).
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2 == Batch and shell files ==
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These can be used to start Jmol application from a command line and,
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particularly, to impose a certain combination of parameters
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(see http://wiki.jmol.org/index.php/Jmol_Application#Command_line_options).
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2.1 === jmol ===
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???? (Some kind of batch file)
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2.2 === jmol.bat ===
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A batch file to start Jmol application under Windows.
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2.3 === jmol.mac ===
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??? (Some kind of batch file, for the MacOS)
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2.4 === jmol.sh ===
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A shell script to start Jmol application under Unix-like systems, like Linux,
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BSD, Solaris and Cygwin for Windows.
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3 == Files of Jmol application ==
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This is used as a standalone program.
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3.1 === Jmol.jar ===
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The application executable file (a program written in Java). This works as any
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other program: opens in its own window, can be resized or minimized, admits
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drag-and-drop of files over it, has a top menu bar, can open and save files,
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etc. It can be open from the command line (particulary, using the shell or batch
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files described above), but if Java is properly configured in your system, it's
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usually enough to double-click on the file
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(see http://wiki.jmol.org/index.php/Jmol_Application#Starting_Jmol_Application
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for more details).
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3.2 === JmolData.jar ===
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This is a slimmed down version of Jmol.jar that lacks all visualization
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capabilities. So, it betrays the whole (classic) concept of what Jmol is, but
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with JmolData and some clever scripting you can get just about any information
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you want out of a model and output it any way you want.
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It operates only from the command line, designed for extracting data from a
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model or set of models. You are limited to commands that don't have to do with
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visualization: there are bonds but no "sticks", atoms but no "dots", helices but
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no "cartoons".
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4 == Files of Jmol applet ==
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These are used inside web pages, and include:
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Applet files | Core Javascript libraries | Optional Javascript libraries
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4.1 === Applet files ===
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4.1.1 ==== JmolApplet0.jar, JmolApplet0(severalSuffixes).jar ====
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The applet, i.e. a version of the program that will only run when embedded in
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a web page.
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The applet is divided up into several pieces according to their function, so
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that if a page does not require a component, that component is not downloaded
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from the server.
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It is still recommended that you put all JmolApplet0*.jar files on your server
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even if your page does not use the capabilities provided by some of the files,
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because the pop-up menu and Jmol console both allow users to access parts of
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Jmol you might not have considered.
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This split version is the one that will be used by default if you use Jmol.js
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(which is the recommended method).
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For that, use the simplest form of jmolInitialize(), just indicating the
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directory or folder containing the set of jar files:
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jmolInitialize("directory-containing-jar-files")
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for example,
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jmolInitialize(".")
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(if jar files are in the same folder as the web page)
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jmolInitialize("../jmol")
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(if jar files are in a parallel folder, named 'jmol')
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4.1.2 ==== JmolAppletSigned0.jar, JmolAppletSigned0(severalSuffixes).jar ====
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An equivalent version of the applet, but this is a "signed" applet (a term in
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Java security language). This means it must be authorized by the web
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page visitor for it to run, but then it will have less security restrictions for
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file access. For example, it can access files on any part of the user's hard
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disk or from any other web server.
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Typically users get a message asking if they want to accept the "certificate" or
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if they "trust" the applet (''see notes below''). JmolAppletSigned.jar should
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be used with this in mind. Other than reading files, Jmol does not currently
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use other capabilities of signed applets, such as accessing the system
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clipboard or writing files. Use only if you know what you are doing and have
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considered the security issues.
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To use this with Jmol.js, use the form:
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jmolInitialize("directory-containing-jar-files", true)
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or
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jmolInitialize("directory-containing-jar-files", "JmolAppletSigned0.jar")
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Notes:
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* The security feature requesting to trust the applet may not always be enabled
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on users' systems.
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* The message requesting permission will be displayed for each of the 14 (or
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more) loadable files.
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* The user may have the option to trust the applet permanently and so avoid
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having to give permission every time (s)he visits a page that uses Jmol.
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4.1.3 ==== JmolApplet.jar ====
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This is an all-in-one or monolithic file, kept mainly for compatibility with old
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pages that call it explicitly.
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This single file is equivalent to the whole set of JmolApplet0*.jar files,
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explained above.
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The recommended procedure is not to use this monolithic file, but the split
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version (JmolApplet0.jar etc.). In particular, Jmol.js uses the split version
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by default.
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You may wish to use this if you want to keep your website simple or you just
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want to upload a single jar file whenever new versions are released.
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However, this will load Jmol slower than the split versions (described above),
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as all the modules (adding up to 2.4 MB), needed or not, must get loaded onto a
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user's machine before any structure is displayed.
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To invoke JmolApplet.jar from Jmol.js, either:
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a) put it in the directory containing the HTML page requiring it and do not use
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jmolInitialize(),
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or
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b) identify it explicitly in jmolInitialize(), for example:
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jmolInitialize("directory-containing-jar-files", "JmolApplet.jar")
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4.1.4 ==== JmolAppletSigned.jar ====
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An equivalent version of the monolithic applet, but this is a "signed" applet
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(a term in Java security language). This means it must be authorized by the web
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page visitor for it to run, but then it will have less security restrictions for
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file access. For example, it can access files on any part of the user's hard
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disk or from any other web server.
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Typically users get a message asking if they want to accept the "certificate" or
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if they "trust" the applet, but this security feature is not always enabled.
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JmolAppletSigned.jar should be used with this in mind. Other than reading files,
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Jmol does not currently utilize other capabilities of signed applets, such as
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accessing the System clipboard or writing files. Use only if you know what you
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are doing and have considered the security issues.
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To invoke JmolAppletSigned.jar from Jmol.js, use:
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jmolInitialize("directory-containing-jar-files", "JmolAppletSigned.jar")
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4.1.5 ==== Notes ====
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# Given the descriptions, you will realize that the distribution package
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contains 4 full copies of the applet (signed or unsigned, split or not).
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- LICENSE.txt
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GNU LGPL (terms of license for use and distribution of Jmol).
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- Jmol.jar
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Executable file for the Jmol application (a program written in Java).
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This works as any other program: opens in its own window, can be
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resized or minimized, admits drag-and-drop, has a top menu bar,
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can open and save files, etc. It can be run from the command line
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(particulary, using the shell or batch files described below),
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but if Java is properly configured in your system, it's usually
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enough to double-click on this file.
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- jmol
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(Some kind of batch file to start Jmol application)
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- jmol.bat
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A batch file to start Jmol application under Windows.
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- jmol.mac
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(Some kind of batch file to start Jmol application)
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- jmol.sh
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A shell script to start Jmol application under Unix-like systems,
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like Linux, BSD, Solaris and Cygwin for Windows.
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- JmolApplet.jar
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The applet, i.e. a version of the program that will only run
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when embedded in a web page.
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This is an all-in-one (or monolithic) file, kept mainly for
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compatibility with old pages that call it explicitly. Current
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recommended procedure is to use the split version (JmolApplet0.jar etc.,
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described below). In particular, Jmol.js uses the split version.
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You may wish to use this if you want to keep your website simple or you
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just want to upload a single jar file whenever new versions are released.
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However, this will load Jmol somewhat slower than the split versions,
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as all the program components must get loaded onto a user's machine
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before any structure is displayed.
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To invoke JmolApplet.jar from Jmol.js, either:
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a) put it in the folder containing the HTML page requiring it and
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do not use jmolInitialize()
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or
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b) identify it explicitly in jmolInitialize(), for example:
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jmolInitialize("folder-containing-jar-files", "JmolApplet.jar")
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- JmolAppletSigned.jar
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An equivalent version of the applet, but this is a "signed" or
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"trusted" applet (a term in Java security language). This means it
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must be authorized by the web page visitor for it to run, but then
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it will have less security restrictions for file access. For example,
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it can access files on any part of the user's computer or from any
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other web server.
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|
Typically users get a message asking if they want to accept the
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"certificate" or if they "trust" the applet, but this security feature
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is not always enabled. If you decide to use JmolAppletSigned.jar
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you should keep this in mind.
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Other than reading files, Jmol does not currently utilize other capabilities
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of signed applets, such as accessing the System clipboard or writing files.
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Use only if you know what you are doing and have considered the security issues.
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To invoke JmolAppletSigned.jar from Jmol.js, use:
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jmolInitialize("folder-containing-jar-files", "JmolAppletSigned.jar")
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- Jmol.js
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The utilities library, written in JavaScript language, that assists in
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the preparation of web pages that use Jmol applet, without the need to
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know and write detailed JmolApplet code.
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This library uses by default the split version of the applet (either
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unsigned or signed).
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Fully documented at http://jmol.org/jslibrary/
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- JmolApplet0.jar and
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JmolApplet0(severalSuffixes).jar
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The applet is divided up into several pieces according to their function,
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so that if a page does not require a component, that component is
|
|
not downloaded from the server. It is still recommended that you put
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all JmolApplet0*.jar files on your server, even if your page does not use
|
|
the capabilities provided by some of the files, because the pop-up menu
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and Jmol console both allow users to access parts of Jmol you might
|
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not have considered.
|
|
The set of these files is equivalent to the single JmolApplet.jar.
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|
This split version is the one that will be used by default if you use
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Jmol.js. For that, use the simplest form of jmolInitialize(), just
|
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indicating the folder containing the set of jar files:
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jmolInitialize("folder-containing-jar-files")
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for example,
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jmolInitialize(".")
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(if jar files are in the same folder as the web page)
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jmolInitialize("../jmol")
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(if jar files are in a parallel folder, named 'jmol')
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- JmolAppletSigned0.jar and
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4.2 === Core Javascript libraries ===
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JmolAppletSigned0(severalSuffixes).jar
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The signed version of the split applet. This version allows the user
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4.2.1 ==== Jmol.js ====
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to access files anywhere on the computer and from any location on the web.
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The classic library, written in JavaScript language, that assists in the
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Typically, users get a message asking if they want to accept the certificate
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programming of web pages that use Jmol applet, without the need to know and
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for **each** of the (currently 16) loadable jar files. For this reason, this
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write detailed JmolApplet code.
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version may not be of general use.
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The set of these files is equivalent to the single JmolAppletSigned.jar.
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This library uses by default the split version of the applet (unsigned or
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To use this with Jmol.js, use either:
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signed).
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a) jmolInitialize("folder-containing-jar-files", true)
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or
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Fully documented at http://jmol.org/jslibrary/
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b) jmolInitialize("folder-containing-jar-files", "JmolAppletSigned0.jar")
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Jmol.js is phased out in Jmol v13, in favour of the object-oriented method
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---------------------------
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and set of .js files (described next).
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Given the descriptions, you will realize that the distribution package contains
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4 full copies of the applet (signed or unsigned, split or not).
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4.2.2 ==== JmolApplet.js ====
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---------------------------
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Creates the object for a Jmol applet.
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4.2.3 ==== JmolCore.js ====
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Contains functions that make the Jmol applets work but are not to be used by
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the webpage author (private functions).
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4.2.4 ==== JmolControls.js ====
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Support for user-interface controls like buttons, links, checkboxes, etc.
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4.2.5 ==== JmolApi.js ====
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Contains the Application Programming Interface, that is, functions that may be
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used by the webpage author to interface with the Jmol applets.
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4.3 === Optional Javascript libraries ===
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4.3.1 ==== JmolCD.js ====
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The ChemDoodle extension: provides the means for using ChemDoodle Web Components
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(that uses JavaScript + HTML5 canvas or WebGL) instead of the
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Jmol applets, for systems where Java is not available.
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4.3.2 ==== JmolGLmol.js ====
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The GLmol extension: provides the means for using GLmol (that uses WebGL +
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JavaScript) instead of the Jmol applets, for systems where Java is not available.
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4.3.3 ==== JmolJME.js ====
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Provides the means for adding a JME applet in the webpage (drawing of 2D chemical
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formulas) and communicate with Jmol applets.
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4.3.4 ==== JmolJSV.js ====
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Provides the means for adding a JSpecView applet (viewer for spectral data) in
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the webpage and communicate with Jmol applets.
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5 == Accessory apps and applets ==
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5.1 === ChimeToJmol.jar ===
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Undocumented and experimental.
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An application to convert Chime-using html pages into pages with JmolApplets.
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5.2 === JSpecViewApplet, JSpecViewAppletSigned ===
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Unsigned and signed versions of the JSpecView applet, a viewer for spectral data
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that may be intercommunicated with Jmol applets.
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(See supporting .js file above)
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5.3 === JmolSmilesApplet.jar ===
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This is currently not included in the distribution, but may be obtained from the
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development site.
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This is a lightweight applet, with no visible interface, that allows to check
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SMILES strings. This is particularly useful for comparison of stereochemistry,
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for example from structures drawn using the JME applet.
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The same functionality is included in the regular JmolApplet.
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