Import File-Columns Tab

    On the Columns tab, you can select columns to import data from.

    To select a specific column, simply check the box beside its name. It is also possible to select all columns, to do this, select the checkbox above the column names. You can deselect all columns in the same way.

    If the file to be imported contains a comment line (for example, in an SDF file or a MOL file header section), this information will be imported as a separate field and will be listed as Molecule Title.

    In Records to read, you can specify how many rows should be taken into account to be read into the Columns tab to detect the columns to be imported.

    This is useful, for example, when you have an SD File with 25000 structures, and columns are the same for the first 5000 structures. 50 records are enough to detect columns for the whole 5000 sets and there is no need to go through all 5000 items, this way the import process will be faster. If you select the All checkbox, all items will be taken into account.

    {info} Your selection will only be processed if the Read button is clicked after changing the number.

    After selecting the columns, it is possible to save the selection to an XML file by clicking the Save Filter button. Next time if you want to import the same data from the same kind of file (having the same fields) the previously saved XML file can be loaded by clicking the Load Filter button.

    images/download/attachments/1802423/Import_File_Columns_Tab.png

    The XML file can be used as a default filter in Options > File Import > Field Filtering > Default File Field Filter.

    When a filter is loaded from an XML file, the name of the filter can be seen at the bottom of the Import File dialog.

    images/download/attachments/1802423/Import_File_Columns_Tab_Filter.png

    Options

    When a column is selected, options appear at the right side of the window.

    images/download/attachments/1802423/Import_File_Columns_Tab_Options.png

    Import File Columns Tab Options

    Basic

    Consists of the following items:

    • Display Name: The display name of the selected column, it can be edited freely.

    • Is Structure Column: Specifies if the column is a structure column or not. Possible values are TRUE and FALSE.

    • Use as Identifier: Specifies if the column is an identifier or not. This means that it can be used in an ID assignment related function (JCIDSYSStructure). Possible values are TRUE and FALSE .

    Format

    Consists of the following items:

    • Export Format: Specifies the export format of data in the cell. Possible values are as follows:

      • General

      • Number

      • Currency

      • Accounting

      • Date

      • Time

      • Percentage

      • Fraction

      • Scientific

      • Text

      • Special

    • Import Format: Specifies the export format of data in the cell. Possible values are as follows:

      • General

      • Number

      • Currency

      • Accounting

      • Date

      • Time

      • Percentage

      • Fraction

      • Scientific

      • Text

      • Special

    Settings

    Consists of the following items:

    • ID: Displays the previously selected ID.

    • Is Formula: Specifies if the column in the grid view will be displayed as a molecule formula format or not. Molecule formula format means that the number after atomic symbols is displayed in subscript. This function is not active in the excel worksheet, only in the grid view. Possible values are TRUE and FALSE.

    • Type: Data type of the field. Possible values:

      • Default

      • DateTime

      • Numeric

      • Text

      • Currency

    You can start the import process by clicking the Import button.