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Sort Project Table Panel |
Sort the entries and entry groups in the Project Table by the values of one or more properties. Entries can be grouped before sorting, and groups can be sorted on the same properties as ungrouped entries or on different properties. Entries with the highest or lowest values can be selected after sorting. The sort can be applied to all entries, or just the selected entries.
To open the Sort Project Table panel, you can:
Choose Table → Sort in the Project Table panel.
Click the Sort button on the Project toolbar in the Project Table panel.
This panel allows you to sort entries and entry groups by property values, and select entries after sorting. By default, only sorting by entry is selected.
The default sort order for strings treats sequences of digits as single
numbers, so that, for example, ligand10 follows
ligand9, rather than ligand1. You can change the order
to a standard dictionary order by setting a preference under Project Table – Properties in the
Preferences panel.
If you just want to sort the Project Table by values of a single property, you can right-click (or click on the arrow) in the heading of the property column in the Project Table and choose Sort → All Rows or Sort → Selected Rows. You do not need to use this panel for this operation.
To sort entries:
Select a property from the list on the left, and click the right arrow button in the center of the panel.
The property is added to the Sort entries table.
Click in the Direction column for the property to change the direction of the sort.
To add another property to sort by, select it in the list and click the right arrow button.
To move a property up or down the table, select it and drag it to the new location.
To sort entry groups:
Select Sort groups.
The controls for sorting groups are displayed below this option.
Choose an option for the properties to sort the groups by.
If you chose to sort by properties of the first entry, select the properties in the list to the left and click the right arrow to transfer them to the list, arrange them and choose the sort order (as described above).
To select the top N entries after sorting:
Select After sorting, select.
The selection controls for entries are displayed.
Choose the Top option.
Enter the number or percentage of entries to select in the text box.
The percentage is the percentage of the entries that were sorted.
Choose whether to select a number or percentage of entries, and whether to make this selection in each group or in the entire sorted set of entries, by choosing an item from the option menu.
The percentage is the percentage of entries that were sorted.
Choose the sort keys from this property selector. You can select a single property from the list to transfer to the Sort entries or the Sort groups table. You can use the tools below the list to restrict the list or to sort it.
Select this option to group the entries according to the values of a property before sorting. When you select the option, the Options and Property text box are displayed. Click Options to choose the property and set up the groups.
Opens the Group by Entry Property dialog box, in which you can select a property and create entry groups.
This text box displays the name of the property that was selected to group the entries.
Select this option to sort the entries in the Project Table by the values of one or more properties. Entries within groups are also sorted by these properties, but the order of the groups in the Project Table is not changed.
The table that lists the properties used for sorting is displayed when you select this option. This table lists the properties in the order in which they are used for sorting (as indicated in the first column).
To add a property to the table, select it in the property list to the left, and click the right arrow button. A row is added to the table, with the property name and the direction of the sort.
To change the order in which the properties are used for sorting, select a property in the table and drag it to the desired position in the table.
To change the direction of the sort, click in the Direction column for the desired property.
To remove a property from the table, select it and click the left arrow.
Select this option to reorder the groups in the Project Table. When selected, the options for sorting groups are displayed.
Select this option to sort the groups by title.
Select this option to sort the groups by the properties of the first entry in the group, as specified in the Sort entries table: that is, use the same properties for sorting the groups as for sorting the ungrouped entries.
Select this option to sort the groups by the properties of the first entry in the group, as specified in the table. The table operates in the same way as for sorting entries.
Use this option to select entries by number or by property after sorting. There are two options for selecting the entries:
Top N—Select the top entries by number or by percentage. The text box specifies the number, and the option menu specifies whether the number is an absolute number or a percentage, and whether the selection applies to the entries in each group or to all entries. The entries that are selected are those with the lowest row numbers. After sorting, this corresponds to choosing the entries with the highest or the lowest property values (depending on the sort direction), or in general to the order defined by the sort.
Unique entries in each group, by property—Select the first (lowest row number) entry in each group that has a distinct value for a chosen text property. You can choose the property by clicking the icon to the right of the text box. This is a way of selecting the top entry for each value of a particular property. For example, you might sort by the GlideScore and choose to select the top entry entry for each value of the Title property. If the title is different for each ligand, this allows you to select the top-scoring pose for each ligand.
Perform the sort, either on all entries or on the selected entries.
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