In order to export the content of a database, click the Export button in the top-right part of the action bar of the application. Clicking this button opens the export panel, where the list of all fields belonging to the current datatree appears. In the fields list, you have to specify the fields to be exported by clicking the checkboxes. In the case of datatrees containing multiple entities, the fields are hierarchically arranged into entities and clicking the checkbox next to the entity name selects all fields of the corresponding entity for export.
The Select field icon ( ) simplifies field selection for export. After clicking the Select field icon, a field for export can be added by clicking the preferred field in a widget of your form view, respectively, in a column of your grid view (table).
Another option for field selection is enabled by using the Grid view () icon, respectively, the Form view () icon which is present next to the Select field icon. Using these icons simplifies field selection for export particularly when a large amount of fields needs to be selected. By clicking the Grid view or Form view icon, all fields present in the opened grid or form view become selected for export.
In the opened grid or form view, the fields selected for export are highlighted with a red outline. In the export panel, the selected fields are automatically marked in the fields list, independently on the way of their selection.
The selected fields can also be deselected both by clicking the field name in the grid or form view after clicking the Select field icon and by unchecking the corresponding checkboxes in the export panel. The number of selected fields is indicated in the Select button in the bottom of the export panel.
In the next step, the previously selected fields can be rearranged by using drag and drop and can also be removed by clicking the cross ( ) icon. In the edit box, the filename of the exported file can optionally be specified. The file format of the exported file needs to be chosen from the Export format dropdown.
Data displayed in a grid or form view can be exported to a variety of file formats:
ChemAxon MRV format (.mrv)*
MDL SDF file (.sdf)*
MDL RDF file (.rdf)*
Tab separated text (.txt)*
JChem for Excel with structures (.xlsx)*
Microsoft Excel with structure images (.xlsx)*
The actual list of available file formats depends on the type of data in the particular grid or form view. If the structure field is not part of the selection then only the non-chemical file formats such as Tab separated text (.txt) and Microsoft Excel (.xlsx) are available.
In the case of a molecule table, the records can be exported to:
Chemaxon MRV format (.mrv)
MDL SDF file (.sdf)
Tab separated text (.txt) where the structures are represented by their SMILES strings
JChem for Excel with structures (.xlsx)
Microsoft Excel with structure images (.xlsx)
In the case of a reaction table , the records can be exported to:
Chemaxon MRV format (.mrv)
MDL RDF file (.rdf)
Tab separated text (.txt) where the reactions are represented by their SMILES strings
JChem for Excel with structures (.xlsx)
Microsoft Excel with structure images (.xlsx)
In the case of a query structure table , the records can be exported to:
Chemaxon MRV format (.mrv)
MDL SDF file (.sdf)
Tab separated text (.txt) where the reactions are represented by their SMARTS strings
JChem for Excel with structures (.xlsx)
Microsoft Excel with structure images (.xlsx)
In the case of Markush libraries , the records can be exported to:
Chemaxon MRV format (.mrv)
MDL SDF file (.sdf)
Tab separated text (.txt) where the reactions are represented by their Chemaxon Extended SMILES strings
JChem for Excel with structures (.xlsx)
Microsoft Excel with structure images (.xlsx)
To simplify the exporting process, the option to create export templates has been implemented in version 21.8.0. Creating export templates and their usage is described in this documentation page.
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With Plexus Connect, you can also export complex relational data into each supported file type. Thanks to Filtering child data capability, Plexus Connect allows to export only relevant child data records that fit to the definition set in the filter.
Export without child data filtering | Export with child data filtering |
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In the case of a One-to-Many relationship, when exporting child data and child data filtering is turned off, the root entity's record will be repeated for each record in the child entity. Result .sdf after filtering BIO.CELL contains L929 cell with child data filtering OFF Wombat (compound view) compounds (FilterChildOff).sdf | In the case of a One-to-Many relationship, when exporting child data and child data filtering is turned on, root entity's record will not be repeated . Only those root entity's record with corresponding filtered child data will be exported. Result .sdf after filtering BIO.CELL contains L929 cell with child data filtering ON Wombat (compound view) compounds (FilterChildOn).sdf |
Print feature enables you to generate a PDF document which can be paper printed. The printed representation of the information is often more restrictive than exploring your data in a form or grid view. For instance, you can't use scroll bars in a printout. For this reason, all the columns presented in the grid view or table widget are squeezed on the printed page. Page breaks are added between rows, so that better readability is achieved, printing the content over multiple sheets.
Printing functionality is available under the Print button on the top right side of the action bar.
There are two printing options offered in the printing dropdown menu:
Fit rows to table height option will print out only those child data, which can fit into their table widget.
Print all rows option will print out all child data, even though it might overflow widget size.
Fit rows to table height | Print all rows |
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