Editor: MolTrajectoryBundle Editor ()

Description:

This tool allows you to edit the data entries contained in a Molecule Trajectory Bundle data object.

Each row shows a set of values for one trajectory in the bundle. The first column contains the current index of each trajectory. The second column contains the name. All other columns represent data entries. Double clicking one of the cells in the index columns will set the current trajectory in all downstream MolTrajectory objects to the clicked trajectory.

It is possible to sort according to each columns values by clicking on the header above the column. A certain sorting order can be applied to the indices of the trajectories with the Trajectory/ApplyOrder menu.

The names and data entry columns can be edited by double clicking the cell. The index column is not editable.

With CTRL-C the cell values of the current selection can be copied to the clipboard as a tab delimited string (which can be handled by most spreadhseet applications). CTRL-V overwrites the current selection with a tab delimited string in the clipboard. This requires that the number of lines in the clipboard is identical to the number of selected rows and that the number of tab delimited tokens in each row is identical to the number of cells that are selected for the corresponding row.

Trajectory Menu:

New trajectories can be added to the bundle with the Trajectories/Add menu. A requester will appear that lets you pick any trajectory in the Project View. With the Trajectory/Remove menu you can remove all trajectories from the bundle for which at least one cell is currently selected, and with Trajectory/Restrict you can restrict the bundle to the selected trajectories.

Data Menu:

New data can be added with the Data/Add menu. Data/AddSelection will create a new data column containing '0' for all unselected trajectories and '1' for all selected ones. With the Data/Remove menu you can remove all data from the bundle for which at least one cell is currently selected.

Selection:

Items can be selected manually by single clicking a cell (SHIFT and CTRL can be used as modifiers). The section at the bottom of the editor allows you to select trajectories based on atom expressions. The Add and Remove buttons will add or remove the trajectories which are matched by the given expression to or from the selection. The Repalce button will replace the selection with the matching.