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    • Sorting compounds in chemical databases

    • Presenter: Jesse Gordon , Company: PerkinElmer Informatics
    • Duration: 4 min
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  • View records in a chemical database one at a time, or in a table view or a multiform view. Each one can be sorted ascending and descending.

    By default, ChemBioFinder opens to the Form View, with one molecule per screen. The Data Table View and Continuous Forms View show one molecule per row, in a scrollable table. Each of the three views can be sorted by any field in the database (even fields which are not shown on the screen). To sort on the Form View:

    • Select menu Record > Sort.
    • On the list of fields shown on the left, click on the field name to sort on it; it then appears on the list on the right.
    • Click multiple fields to sort by one field within another; the sort order is then shown on the right.
    • In the "Type" column on the right, right-click to switch from "A" for Ascending sort to "D" for Descending sort.
    • Right-click on a row in the field list to remove that field from the sort criteria.
    • Click "OK" to perform the sort.
    • The Form View will show the same molecule as was shown before you started the search, but its relative position will have changed.
    • Use the First Record and Next Record menu items or toolbar buttons to view the substances in sorted order.

    The Data Table View is a convenient method to view multiple records simultaneously, and to get an overview of the database contents. To get to the Data Table View, select menu View > Data Table > In Current Window. You may also view a data table in a separate window, which will keep a Form View on the screen as well. The Data Table View can be sorted by the same method as the Form View, using the menu items. But in addition, the Data Table View allows sorting by another interface:

    • Highlight the column for the field by which you want to sort.
    • Right-click on the highlighted column, and select Sort Column.
    • Select Ascending or Descending and the data is sorted by that one field.
    • Note that sorting by multiple fields requires choosing the Multiple... menu item, which is the same as the Form View sort above.
    • You can move the sorted column to the left, to indicate that it is the sort key, by selecting the column, then dragging the column heading to the new location.
    • Return to the Form View by selecting menu View > Form View; the individual substances are sorted in the same sequence as in the Data Table View.

    The Continuous Forms view shows the top rows of the Form View in a continuous form, for overview purposes. You can adjust the height of the rows in the Continuous Forms view by dragging on the divider between the row headings. However, the intent is that you set up your forms with the most significant fields on top, so that you can see them in Continuous Forms view with several rows showing simultaneously. You can move the fields in the Form View by using the Selection Tool. You may show more than one instance of a database field on the Form View for just this purpose (such as a miniature version of the structure, so that it will fit nicely on a Continuous Form). In all cases of sorted data, you can export the list or a subset to SDfile format, and the sort sequence will be reflected in the SDfile output.

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