Difference between revisions of "Files Description/Jmol 14"
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− | This | + | '''''This is valid up to some Jmol version 14.x; for later versions, see [[Files_Description]]''''' |
+ | '''''For Jmol versions previous to 13.2, see [[Files_Description/Jmol_12]]''''' | ||
− | + | <!--This information is also included in Jmol distribution {{File|README}} file.--> | |
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− | {{File| | ||
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− | + | The Jmol distribution is available for download as 3 different files: | |
+ | * {{File|jmol-x.x.x-binary.zip}} contains all files needed for using Jmol, compressed using the <code>zip</code> format. | ||
+ | * {{File|jmol-x.x.x-binary.tar.gz}} contains the same files, in a <code>tar</code> structure and compressed using the <code>gzip</code> format. | ||
+ | * {{File|jmol-x.x.x-full.tar.gz}} contains the full source code. This will only be useful to developers and programmers wanting to study Jmol programming design or to modify Jmol. | ||
− | + | Following is a description of the files contained in any of the first two downloadable files. | |
− | + | {{Jmol_Documentation_Sections}} | |
− | == | + | == Files with information == |
− | + | === COPYRIGHT.txt === | |
− | + | The copyright explanations regarding Jmol and its 3rd-party components. | |
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− | The copyright explanations. | ||
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+ | === LICENSE.txt === | ||
The GNU Lesser General Public License, under which Jmol is released. | The GNU Lesser General Public License, under which Jmol is released. | ||
− | + | === README.txt === | |
− | |||
A general description of Jmol package and sources of information, including this file list documentation. | A general description of Jmol package and sources of information, including this file list documentation. | ||
+ | === LEAME.txt === | ||
+ | The Spanish version of README.txt | ||
− | === | + | === CHANGES.txt === |
+ | A list with a history of the feature additions in each version of Jmol. | ||
− | ==== | + | <br> |
+ | == Batch and shell files == | ||
+ | These can be used to start Jmol application from a command line and, particularly, to impose a certain combination of parameters (see [[Jmol_Application#Command_line_options|command line options]]). | ||
− | + | === jmol === | |
+ | ???? (Some kind of batch file) | ||
− | + | === jmol.bat === | |
− | + | A batch file to start Jmol application under Windows. | |
− | === | + | === jmol.mac === |
+ | ??? (Some kind of batch file) | ||
− | + | === jmol.sh === | |
+ | A shell script to start Jmol application under Unix-like systems, like Linux, BSD, Solaris and Cygwin for Windows. | ||
+ | Under Linux, there are a number of ways to start Jmol as a standalone program using the {{file|jmol.sh}} script:<br> | ||
+ | (1) | ||
+ | sh jmol.sh // start Jmol under the jmol-xxx folder | ||
+ | sh yourpath/jmol-xxx/jmol.sh // start Jmol from anywhere | ||
+ | (2) | ||
+ | chmod +x jmol.sh // make the ''jmol.sh'' script executable | ||
+ | jmol.sh // start Jmol inside the jmol-xxx directory, or | ||
+ | yourpath/jmol-xxx/jmol.sh // start Jmol anywhere | ||
+ | (3) | ||
+ | chmod +x jmol.sh // make the ''jmol.sh'' script executable | ||
+ | ln -s yourpath/jmol-xxx/jmol.sh /usr/local/bin/jmol.sh //create a symbolic link under /usr/local/bin | ||
+ | Add the following shell variable in the shell script {{file|$HOME/.bash_profile}} | ||
+ | export JMOL_HOME="/yourpath/jmol-xxx/" | ||
+ | Reboot your computer or execute | ||
+ | source $HOME/.bash_profile | ||
+ | Then | ||
+ | jmol.sh // start Jmol anywhere | ||
+ | (4) Move the {{file|jmol-xxx}} folder to {{file|/usr/bin/}} or {{file|/usr/local/bin/}} | ||
+ | chmod +x jmol.sh // make the ''jmol.sh'' script executable | ||
+ | ln -s /usr/bin/jmol-xxx/jmol.sh /usr/bin/jmol.sh // or | ||
+ | ln -s /usr/bin/jmol-xxx/jmol.sh /usr/local/bin/jmol.sh // or | ||
+ | ln -s /usr/local/bin/jmol-xxx/jmol.sh /usr/bin/jmol.sh //or | ||
+ | ln -s /usr/local/bin/jmol-xxx/jmol.sh /usr/local/bin/jmol.sh | ||
+ | jmol.sh // start Jmol from anywhere | ||
− | + | <br> | |
+ | == Files of Jmol application == | ||
+ | This is used as a standalone program. | ||
− | ==== | + | === Jmol.jar === |
+ | The application executable file (a program written in Java). This works as any other program: opens in its own window, can be resized or minimized, admits drag-and-drop of files over it, has a top menu bar, can open and save files, etc. It can be open from the command line (particulary, using the shell or batch files described above), but if Java is properly configured in your system, it's usually enough to double-click on the file (see [[Jmol_Application#Starting_Jmol_Application|Starting Jmol Application]] for more details). | ||
− | ... | + | === JmolData.jar === |
+ | This is a slimmed down version of Jmol.jar that lacks all visualization capabilities. So, it betrays the whole (classic) concept of what Jmol is, but with JmolData and some clever scripting you can get just about any information you want out of a model and output it any way you want. | ||
− | + | It operates only from the command line, designed for extracting data from a model or set of models. You are limited to commands that don't have to do with visualization: there are bonds but no "sticks", atoms but no "dots", helices but no "cartoons". | |
− | . | + | === JmolLib.jar === |
+ | This is a library, meant to make Jmol a module or part of a bigger project, that is, to integrate Jmol viewer inside another software. | ||
+ | <br> | ||
+ | == Files of the Jmol object == | ||
+ | === jsmol.zip === | ||
+ | This file includes in compressed form all the files for using J(S)mol inside web pages, such as: | ||
+ | * Applet files (for the Java modality of Jmol object) | ||
+ | * Javascript libraries (for the definition of the Jmol object in all cases, and specifically for the HTML5 modality of Jmol object) | ||
− | + | For details on the files contained, their purpose and how to use them, please see [[Jmol_JavaScript_Object#Installation]] | |
− | |||
− |
Latest revision as of 15:14, 18 April 2024
This is valid up to some Jmol version 14.x; for later versions, see Files_Description
For Jmol versions previous to 13.2, see Files_Description/Jmol_12
The Jmol distribution is available for download as 3 different files:
- jmol-x.x.x-binary.zip contains all files needed for using Jmol, compressed using the
zip
format. - jmol-x.x.x-binary.tar.gz contains the same files, in a
tar
structure and compressed using thegzip
format. - jmol-x.x.x-full.tar.gz contains the full source code. This will only be useful to developers and programmers wanting to study Jmol programming design or to modify Jmol.
Following is a description of the files contained in any of the first two downloadable files.
- Description of files in Jmol+JSmol distribution
- File formats read or written by Jmol
- The Jmol scripting interface
- Scripting as a programming language
- Complete reference of scripting commands:
- Loading models directly from databases
- Mouse manual
- Default colors used by Jmol
- Atom sets predefined in Jmol
- Support for bond orders · isotopes · stereochemistry · hydrogen bonds
- Jmol as editor
- Multi-touch support
- Copying and pasting state scripts between applets.
- Backward compatibility (changes of behavior across versions)
- Features added since version 10
- Users mailing list (and a mirror)
Contents
Files with information
COPYRIGHT.txt
The copyright explanations regarding Jmol and its 3rd-party components.
LICENSE.txt
The GNU Lesser General Public License, under which Jmol is released.
README.txt
A general description of Jmol package and sources of information, including this file list documentation.
LEAME.txt
The Spanish version of README.txt
CHANGES.txt
A list with a history of the feature additions in each version of Jmol.
Batch and shell files
These can be used to start Jmol application from a command line and, particularly, to impose a certain combination of parameters (see command line options).
jmol
???? (Some kind of batch file)
jmol.bat
A batch file to start Jmol application under Windows.
jmol.mac
??? (Some kind of batch file)
jmol.sh
A shell script to start Jmol application under Unix-like systems, like Linux, BSD, Solaris and Cygwin for Windows.
Under Linux, there are a number of ways to start Jmol as a standalone program using the jmol.sh script:
(1)
sh jmol.sh // start Jmol under the jmol-xxx folder sh yourpath/jmol-xxx/jmol.sh // start Jmol from anywhere
(2)
chmod +x jmol.sh // make the jmol.sh script executable jmol.sh // start Jmol inside the jmol-xxx directory, or yourpath/jmol-xxx/jmol.sh // start Jmol anywhere
(3)
chmod +x jmol.sh // make the jmol.sh script executable ln -s yourpath/jmol-xxx/jmol.sh /usr/local/bin/jmol.sh //create a symbolic link under /usr/local/bin
Add the following shell variable in the shell script $HOME/.bash_profile
export JMOL_HOME="/yourpath/jmol-xxx/"
Reboot your computer or execute
source $HOME/.bash_profile
Then
jmol.sh // start Jmol anywhere
(4) Move the jmol-xxx folder to /usr/bin/ or /usr/local/bin/
chmod +x jmol.sh // make the jmol.sh script executable ln -s /usr/bin/jmol-xxx/jmol.sh /usr/bin/jmol.sh // or ln -s /usr/bin/jmol-xxx/jmol.sh /usr/local/bin/jmol.sh // or ln -s /usr/local/bin/jmol-xxx/jmol.sh /usr/bin/jmol.sh //or ln -s /usr/local/bin/jmol-xxx/jmol.sh /usr/local/bin/jmol.sh jmol.sh // start Jmol from anywhere
Files of Jmol application
This is used as a standalone program.
Jmol.jar
The application executable file (a program written in Java). This works as any other program: opens in its own window, can be resized or minimized, admits drag-and-drop of files over it, has a top menu bar, can open and save files, etc. It can be open from the command line (particulary, using the shell or batch files described above), but if Java is properly configured in your system, it's usually enough to double-click on the file (see Starting Jmol Application for more details).
JmolData.jar
This is a slimmed down version of Jmol.jar that lacks all visualization capabilities. So, it betrays the whole (classic) concept of what Jmol is, but with JmolData and some clever scripting you can get just about any information you want out of a model and output it any way you want.
It operates only from the command line, designed for extracting data from a model or set of models. You are limited to commands that don't have to do with visualization: there are bonds but no "sticks", atoms but no "dots", helices but no "cartoons".
JmolLib.jar
This is a library, meant to make Jmol a module or part of a bigger project, that is, to integrate Jmol viewer inside another software.
Files of the Jmol object
jsmol.zip
This file includes in compressed form all the files for using J(S)mol inside web pages, such as:
- Applet files (for the Java modality of Jmol object)
- Javascript libraries (for the definition of the Jmol object in all cases, and specifically for the HTML5 modality of Jmol object)
For details on the files contained, their purpose and how to use them, please see Jmol_JavaScript_Object#Installation