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gOpenMol is a graphical user interface to many of the powerful, and very widely used, tools available in the field of computational chemistry. Most of these tools provide ways to visualize and analyze molecule structures, properties, and interactions, as well as small molecule structures and properties. With gOpenMol you can get a glimpse at the overall structure and properties of many kinds of molecules, and also the energy of small molecule conformations. Advanced Graphical Options: gOpenMol features many graphical options, including the use of color and transparency to visualize molecules and properties, as well as a custom molecule placement for labeling certain parts of a molecule. You can also save and load the graphical layout of your molecules in many different formats. Getting Started: gOpenMol is simple to use. To get started, just enter the command prompt and type: @start gopenmol gOpenMol contains an extensive help system, with a help file for each command. You can also get the help using the command: @help The Help Section: The command-line help system provides an overview of gOpenMol’s commands, as well as the more detailed explanations of each command. Commands: @start – Initializes the program. @help – Displays the list of commands. @version – Displays the version information. @read – Display a list of commands (description of each command is listed). @info – Displays a detailed list of commands, including a description of each command. @quit – Closes the program. @list – Display list of structures saved in the directory of the current working directory. @load – Load a file that contains structures saved as PLT files (e.g., MDLmol). @save – Save a file that contains structures saved as PLT files (e.g., MDLmol). @convert – Convert a file to a given format. @filter – Filter molecules. @listmol – List all molecules in a given directory. @order – Create a list of molecules ordered by the number of hydrogen atoms. @orderrot – Create a list of molecules ordered by the number of hydrogen atoms and then rotated by a given angle. @cls – Clear the current graphical layout of molecules. @deldir – Delete a directory. @editpyr – Create a new graphical layout of a molecule using the currently available molecule structures. eea19f52d2
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