General Options in JChem for Excel

    The figure below shows the general options of JChem for Excel.


    2D Cleaning

    2D Clean During String Conversion

    It is possible to apply the 2D clean function automatically when converting strings to structures. The 2D clean function calculates new 2D coordinates for the molecules.

    Possible values are as follows:

    • TRUE

    • FALSE

    The default value of this option is TRUE.


    Logging Level

    Use this option to specify the logging level of user actions. The following levels can be specified:

    • OFF: The logging is turned off. Not recommended.

    • FATAL: Serious errors are logged.

    • ERROR:Errors are logged.

    • WARN: Errors and problems which can be handled by the system are logged.

    • INFO: General information about the usage of the application is logged.

    • DEBUG: Information with values of the variables is logged. Recommended for developers.

    • ALL: The highest logging level. All information is logged.

    The default value is ERROR.

    R-group Decomposition and Filter

    Default Structure

    Use this option to specify which structure is used as a query structure by default during R-group decomposition and structure filter.

    The possible options are as follows:

    • LastUsed:The same structure will be used as a query structure as the one in the last filtering/decomposition process.

    • ActiveCell: The structure in the cell which is currently selected will be displayed and used automatically in R-group decomposition and Filter dialog as query structure if the active cell contains a structure. If the active cell does not contain a structure, then the previously used query structure will be displayed, or if there was no previous filtering, the query form will remain empty.

    The default value is LastUsed.

    Structure Detection Type

    The following structure detection types are available:

    • DetectWithLimitedRows : In this case, only a predefined number of rows are taken into account to search for structure columns. The number of rows can be specified with the Structure Detection Threshold option.

    • NoDetect : The worksheet will not be checked when opening the dialog.

    • DetectAll : All columns and all rows will be checked in the worksheet.

    When detection is enabled (by either choosing DetectWithLimitedRows or DetectAll), columns that contain structures will be listed in the Target Column drop-down list in Filter dialog and R-group Decomposition dialog.

    The default value is DetectWithLimitedRows.

    Structure Detection Threshold

    If the value of Structure Detection Type is set to DetectionWithLimitedRows, you can use this option to specify the number of rows to be taken into account.

    The default value is 1000.

    Splash Screen

    Show Splash Screen

    The splash screen is displayed when starting the first JChem-specific function in a session.

    Possible values are as follows:

    • TRUE

    • FALSE

    The default value of this option is TRUE.

    Structure Drawing

    Structure Drawing Behaviour - Excel Dialogs

    Use this option to specify if the automatic switching off of structure drawing is allowed or not while special Excel dialogs, for example, editing function arguments with cross-references to other worksheets, are visible.

    Possible values are as follows:

    • TRUE

    • FALSE

    The default value of this option is FALSE.

    Worksheet Name

    Rename Worksheet to File Name

    This option affects the default state of the Rename Target Worksheet check-box which is used in the following cases:

    Possible values are as follows:

    • TRUE

    • FALSE

    The default value of this option is FALSE.