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Molecule list and filter |
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The loaded molecules are listed in the molecule list of the dProperties graphical interface with their name (if available), chemical formula and structure file. Molecules are initially ordered on the basis of their ID. The molecule ID depends on the loading step. However, molecules can be ordered on the basis of their ID, name or chemical formula by clicking on the following icon
When a molecule is selected on the list, the corresponding molecular properties are shown in the list of properties, while its structure is shown in the molecule viewer. The selected molecule can be removed by clicking on the
Molecules can be filtered by using the filter bar. Only molecules corresponding with the criteria used in the filter bar will be displayed in the molecule list. If a filter is applied, only filtered molecules are exported.
Filters can be made on molecule ID, name and chemical formula. The filtering options can be changed by clicking on
Additional filter options based on the values of the calculated molecular properties can be selected by clicking on
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