Selecting Fields to Import

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  1. If the file to be imported contains additional fields, you can specify on the Columns tab which properties to import. Data without structures can be imported as well. There is no mandatory field, but at least one column should be selected. If you click on Select all, all data fields will be selected, if you click Deselect all, the selection will be removed from all data fields.
  2. If the file to be imported contains a comment line (e.g. in SDF file/Mol file header section), this information will be imported as a separate field and will be listed as "Molecule Title".
  3. The name and some properties of a selected field can be edited on the right side of the dialog:

 

Basic category:

The DisplayName of the field can be edited.

Use as Identifier: here can be selected if this field will be used as an Identifier field after importing. This means that it can be used in ID assignment related function (JCIDSYSStructure).

 

Settings category:

ID: the previously selected ID is displayed again.

IsFormula: if this is set to True, in the grid view (see in Running the Search topic) the appropriate field will be displayed as a molecule formula format, which means that the number after atomic symbols will be displayed in subscript. (This function is not active in the excel worksheet, only in the grid view.)

Type: String, Date Time, Numeric.

 

In Format category the imported and exported format of data in the cell can be specified.

 

Form.ImportFile.EditFields

 

  1. 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 SDFile with 25000 structures, and columns are the same for the first 5000 structures. 50 records are enough to detect columns for the whole 5000 set and there is no need to go through all 5000 items, this way the import process will be faster. If you click-in the All check-box, all items will be taken into account. Please note, that your selection will only be processed if the Read button is pressed after changing the number.
  2. After selecting the fields to be imported, the title of these fields can be saved in an .xml file by clicking on Save selected fields button.
  3. 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 on Load saved fields button and browsing the .xml file.

 

Form.ImportFile.Load_SaveFields

 

  1. This .xml file can be saved as default filter in JChem Options/General/Filtering/Default Database Field Filter menu. (See also in Options/General Settings topic.) A label with the name of the active filter file appears at the right bottom side of the dialog showing the appropriate active filter:

 

Form.ImportFile.ActiveFilter

 

  1. If you click to a table, which is not included in the active filter, the label disappears.
  2. If you go back to File tab and switch back to Columns tab, the label appears again.

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