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Project Table Panel |
The Project Table panel is used to display the contents of a project. It is also the primary interface for performing operations on selected project entries.
Each table row is associated with a project entry, which is a named collection of atoms that can have multiple molecules, but can generally be considered as a separate chemical structure. The table columns show properties of the entries.
To open the Project Table panel, you can:
Choose Project → Project Table in the main window.
Press Ctrl+T (⌘T) in the main window.
Click Open Project Table in the Project Summary panel.
You can also set a preference in the Project - Opening tab of the Preferences panel to open the Project Table automatically when a project is opened.
The Project Table panel can be used for the following tasks:
Controlling what is displayed in the Workspace. Entries that are displayed in the Workspace are "included" entries. See Entry Selection and Inclusion for information on including and excluding entries. You can also display the selected entries in sequence with the ePlayer.
Defining input for a program. Most computational programs accept the selected entries in the Project Table as input.
Examining, editing, and displaying properties. You can add, delete, and modify properties, you can use them to select entries, and you can plot them.
Organizing structures and their data. You can sort entries by property, rearrange entries, duplicate, delete, and merge entries. You can also create groups of entries and perform operations on the groups.
Because many operations work on selected entries, there is a range of tools in the Project Table panel for finding, sorting, and selecting entries.
The Project Table panel contains a menu bar, several toolbars, a status bar, and the Project Table itself.
The menu bar has a set of menus that provide tools for managing entries, entry groups and properties, for importing and exporting data, and for displaying data. The menus are listed below.
The toolbars provide more direct access to many of the features that are on the menu bars. The general features and behavior of the toolbars are described in the topic Project Table Toolbars. Links to the topics that describe these toolbars are given below.
The Project Table itself displays information on the entries in the project and their properties. The table has a fixed area and a scrolling area. The row number, inclusion state (In), and title are in the fixed area. The Title column also contains buttons for entries that have auxiliary data, which are used for display of hypotheses (H), surfaces (S), trajectories (T), and vibrational frequencies (V), when the relevant data are available for the entry.
Each numbered row in the table contains information for one entry, and each column in the table contains information for one property. Entries do not have to have values for each property displayed in the table; likewise properties do not have to have values defined for each entry.
The full contents of the table cell are displayed in a tooltip when the pointer is paused over the cell. Likewise, the full property name is displayed in a tooltip when the pointer is paused over the heading cell, along with the internal name. For properties that have units, the units are also displayed in the tooltip for the column heading.
Entries can be collected together in groups. Entry groups are collected at the end of the Project Table. Groups do not have property values for the group, only a title and a Maestro ID. The title and the sequential index of the group are given in the Title column of the table. The contents of a group can be hidden or displayed by clicking the symbol in the In column for the group. The number of entries in the group is displayed in the Row column in square brackets.
Navigating the table: You can navigate the table in the usual way with the scroll bars, arrow keys, and page keys. You can also scroll the table vertically with the mouse wheel. In addition, there are some special keystrokes for navigating groups.
More information on using the keyboard in the Project Table is given in the topic Using the Keyboard in Maestro.
Selecting entries: Selected entries are highlighted in yellow. Selection of entries can be done manually as follows:
To select a single entry, click anywhere in the row for an unselected entry. All other entries are deselected.
To select multiple contiguous entries, click the first entry, then shift-click the last entry.
To select or deselect a single entry without affecting the selection of other entries, control-click the entry.
To select all members of a group and deselect all other entries click the group row.
To select or deselect all members of a group without affecting the selection of other entries, control-click the group row. If some members of the group are already selected (but not all), all members of the group are selected.
To add all members of a group to the selection, shift-click the group row. If there are unselected entries between the group and other selected entries, these entries are also selected.
You can also select entries based on their properties, using the Entry Selection dialog box.
Displaying structures: Entries that are displayed in the Workspace are called included entries. These entries are marked by a check mark in the diamond in the In column. Like selection, you can include a single entry in the Workspace by clicking in this column for the entry, you can include multiple contiguous entries by clicking this column for the first and shift-clicking for the last, and include or exclude an entry without affecting the inclusion of other entries by control-clicking in this column. You can also fix entries in the Workspace by selecting the entries and choosing Fix from the Entry menu. Fixed entries are not excluded from the Workspace when you include other entries. To exclude fixed entries, select them and choose Entry → Exclude or type Ctrl+X (⌘X).
An image of the 2D structure can be displayed in a column in the Project
Table, by clicking the 2D Structure button on the
Property toolbar
or choosing Property → Show → Show 2D Structure.
Changing column widths:You can change the sizes of the columns in two ways. For individual columns, you can drag the border between two columns. The cursor changes to a double-headed arrow when you do so. You can also change the size of the columns to fit the width of the data in the columns, the heading width, or both, from the Columns button menu on the Property toolbar or the Property → Columns submenu. If you double-click on the right border of a column, it fits the column width to the width of the data.
Changing row heights: If 2D structures are shown, you can change the row height by dragging the border between rows. The 2D structure image changes size as you change the row height.
Choosing properties to display: You can select the properties that are displayed in the Project Table. To show or hide properties, choose Property → Show, and make a choice from the submenu. Choose Select to select the properties to be shown, in the Show Properties dialog box.
Rearranging the rows and columns:To move the selected entries, drag them to the desired location, or choose Entry → Move to Row. The selected rows are placed after the last unselected entry that precedes the target location. To move entries to the beginning or the end of the table, drag them past the beginning or the end.
If you want to move entries into an entry group at a specific location in the group, make sure the group is expanded first. Otherwise, if you drag entries onto the group title row, the entries are placed at the end of the group.
If you want to move entire entry groups, you can select them and then drag the selection to a new location.
To move a column, drag the column header to the desired location, including to the fixed area, or use the Move To item on the shortcut menu to move the column. Columns that are moved to the fixed area are placed after the standard fixed columns. To rearrange the columns, choose Property → Columns → Reorder and make the desired changes in the Reorder Properties dialog box.
Editing table data:To edit a table cell, click in the cell and make the changes. If the entry is not selected, it first becomes the selected entry. You must then click again in the cell to edit it. To finish editing, press ENTER or click somewhere outside the cell you are editing. To edit a property name, click in the header and make the changes, or choose Property → Columns → Edit Name/Type and edit the name in the panel that is displayed.
The status bar, located at the bottom of the panel, displays the following information:
The Project Table panel has shortcut menus, which are displayed when you right-click in the table. There are three general shortcut menus: one for entries, one for properties, and one for entry groups. In addition, there are shortcut menus for surfaces (right-click on the S in the Title column) and for Phase hypotheses (right-click on the H in the Title column).
The Entry shortcut menu duplicates items on the Entry menu, and has some extra items. This menu is displayed when you right-click in a cell of the project table, and the actions apply to the selected entries.
| Include Only | Include only the selected entries in the Workspace, and exclude all others. Does not affect fixed entries. |
| Include | Include the selected entries in the Workspace along with the entries that are already included. |
| Exclude | Exclude (remove) the selected entries from the Workspace. Fixed entries are also removed with this command. |
| Fix | Include the selected entries in the Workspace, and keep them in the Workspace until explicitly excluded or unfixed, the Workspace is cleared, or the project is closed. Actions that exclude other entries from the Workspace, such as Include Only, have no effect on the fixed entries. A padlock icon appears in the In column for these entries. |
| Unfix | Change any fixed entries in the entry selection so that they are no longer fixed. The entries remain in the Workspace, but can be removed by actions like Include Only. The padlock icon is removed from the In column for these entries. |
| Lock | Lock the selected entries so that they cannot be modified or deleted until they are unlocked. A padlock icon appears in the Row column for these entries. You can change locked entries in the Workspace, but the changes will not be saved to the project. |
| Unlock | Unlock the selected entries so that they can be modified or deleted. The padlock icon is removed from the Row column for these entries. |
| Set to New | |
| Set to Viewed | |
| Stars |
Mark the selected entries with the number of stars chosen from this submenu. The star rating is displayed in the Stars column. You can also click in the Stars column to set the number of stars for a single entry. The submenu offers the following choices:
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| Delete | Delete the selected entries in the Project Table. The entries are removed from the project. |
| Merge | Merge the selected entries into a single entry. The merged entry is placed after the last selected entry, inside the last entry's entry group if one exists. |
| Duplicate |
Submenu with the following actions:
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| Split |
Split the entry into several entries based on the content. The submenu offers the following choices:
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| Copy Properties |
Copy the properties from the selected entry onto the clipboard, for pasting into one or more entries. The submenu offers the following choices:
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| Paste Properties | Paste the properties from the clipboard into the selected entries. The existing properties are overwritten. If a property does not exist (or is of a different type) a new property is created for those entries. If a property value is empty in the source entry, the value will be empty in the target entries. |
| Move to Row | Move the selected entries so that the first entry is at a specified row number. Opens the Move to Row dialog box, in which you can specify a row number or move the entries to the first or the last row. |
| Group |
Group or ungroup the selected entries. The submenu offers the following choices:
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| Color |
Color the selected entry rows by a chosen color scheme. The submenu offers the following choices:
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| Export |
Export data from the selected entries to external files. The submenu offers the following choices:
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The property shortcut menu duplicates some items on the Property menu, and has some extra items. This menu is displayed when you right-click in a column header or click on the arrow icon that is displayed when the pointer is in the column header. The actions apply to the property in that column. All menu items are described below.
| Hide this property column. | |
| Sort the selected rows in ascending order. | |
| Sort the selected rows in descending order. | |
| Sort all rows in ascending order. | |
| Sort all rows in descending order. | |
| Deselect entries for which the value of the property is the same as that of another entry that is higher in the Project Table (lower row number) and in the same entry group. The effect is that only the entries with the first occurrence of any property value in the group are selected. This item is only available for string properties. | |
| Color by Property Value | Submenu with the following actions: |
| Fit To |
Adjust the width of the column. The submenu offers the following choices:
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| Move To | Move this property to another location in the table. You can move the property left or right one column, move it to the first or last position in the scrolling section, move it to a position before or after a selected property, or move it between the fixed section and the scrolling section of the table. |
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Change the order that the properties appear in the Project Table. Opens the Reorder Properties dialog box. |
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| Edit Name/Type |
Rename the property. You can change the visible name and the internal name, and you can also change the property type. Opens the Edit Property Name/Type dialog box. |
| Decimal Places |
Set the number of decimal places displayed for one or more real-valued properties. This item is present on the Property shortcut menu only if the property has real values. Opens the Set Decimal Places dialog box. |
| Change Case |
Change the case of string-valued properties. This item is present on the Property shortcut menu only if the property values are strings and changes in the value are permitted. You cannot change the case of these properties: Entry ID, Date Added, Date Modified, PDB format version, original cms file, source file, Job Name, ct type. The submenu offers the following choices:
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| Copy | Copy values from one property to another, for the selected entries or for all entries. Opens the Copy Property panel. |
| Clear all values from this property. | |
| Delete this property from the project. | |
| Show Property in Workspace |
Add or remove the property from the Workspace feedback. The submenu offers the following choices:
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The entry group shortcut menu has a counterpart on the menu bar in the Group menu, but the only common items are Collapse and Expand. The items on this menu are described below. There are four groups of items: for entry inclusion, for group visibilty, for group management, and for actions on group members.
| Edit the title of the group. Only displayed when the pointer is in the Title column. | |
| Duplicate the group. The duplicate group is placed below the source group. Duplication makes copies of all the entries in the source group and places the copies in the new group. | |
| Move the entries out of the group, and delete the group. The entries are placed at the end of the ungrouped entries. | |
| Delete the group, and all the entries in it. A confirmation dialog opens when you choose this item. | |
| Include in the Workspace the entries in the group, along with the entries that are already included. | |
| Include in the Workspace only the entries in the group, and exclude all others. Does not affect fixed entries. | |
| Include in the Workspace the first entry in the group, along with the entries that are already included. | |
| Exclude the entries in the group from the Workspace. | |
| Collapse |
Collapse entry groups in the table, so that only the group title row is visible. The submenu offers the following choices:
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| Expand |
Expand groups so that their entries are visible in the table. The submenu offers the following choices:
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| Play through the entries in the group with the ePlayer. | |
| View Poses |
View docked poses in the context of a receptor. You can step through poses, and display interactions with the receptor. Opens the Pose Viewer panel. |
| Export Structures | Export entries from the current project to one or more files, with a choice of file formats and options to control the export behavior. You can create new structure files or append to an existing structure file. Opens the Export dialog box. |
The Surfaces shortcut menu provides control for the display of surfaces. It is displayed when you right-click the S in the Title column for an entry, and applies actions to that entry. The menu is divided into two sections. The lower section has a list of the available surfaces for the entry, which you can select for display. The upper section has the following items:
| Hide All Surfaces | Undisplay all surfaces for the entry | |
| Display | Submenu with choices for the object to display: Surfaces Only, Structure Only, and Both. |
This shortcut menu contains items for the display of Phase hypotheses and actions that you can perform on the hypotheses. For details, see the Shortcut Menu section of the Manage Pharmacophore Hypotheses Panel topic.
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