Common Operations in Maestro 9.3

Viewing Structures Using the Project Table Working with Multiple Structures Building and Modifying Rotate xy: Middle button Open the Project Table: Ctrl+T or click Import single or multiple structures: Structures the button in the Project Toolbar. Ctrl+I or click the button in the 3D Building: Click Build in the Manager Rotate z: Ctrl+middle button Project Tooblar. toolbar to display the Build Toolbar. Fix rotation in x or y direction: Include and exclude structures: To 2D Building: In the Edit toolbar, click the Shift+middle button and move mouse up include only a single entry (row) from Clear the workspace: Click the button to open the 2D sketcher. or down for x and left or right for y. the Project Table in the Workspace, click button in the Workspace Toolbar. This does the box next to that entry’s name in the not delete any rows (entries) in the Project Translate xy: Right button Project Table. Shift-click to include a Table; it only excludes them from the Add hydrogens: Double-click the range of entries in the Workspace; Ctrl- Workspace. button in the Edit Toolbar to add missing Translate z: Ctrl+right button click to add or remove an entry. hydrogens to all structures in the Move one molecule while keeping others Workspace. Fix translation in x or y direction: Scroll up/down: Up/down arrow keys fixed: Press Ctrl+G or click the button Shift+right button and move mouse up or in the Edit Toolbar then select molecules Adjust torsions: Click the button in down for x and left or right for y. Scroll up/down one page: Page Up / for local transformation. Press Ctrl+G or the Edit Toolbar, and then click on a bond to select it. Click and drag left or right to Zoom: Middle+right button or mouse Page Down click the button again to leave local adjust the torsion. scroll wheel. transformation mode. After selecting Jump to top/bottom of the Project atoms for local transformation, holding Create entry from Workstpace: Click the Spot Center: Right-click an atom to Table: Home/End down the space bar will toggle between button in the Workspace Toolbar. center the view and rotation around it. global and local mode. Jump to previous/next included Measurements: Press and hold the Stereo view: Ctrl+S to turn stereo view on entry: Ctrl+Page Up/Down Tile entries: Ctrl+L or click the button button in the Labels Toolbar. and off. in the View Toolbar. Jump to previous/next selected Save and restore views: Click the entry: Shift+Page Up/Down Structure sculpting: Click the button in the Saved Views Toolbar, or Finding and Selecting Structures sculpting button in the Build toolbar, choose View > Save View. To restore a Include the next or previous Find structures or entries: Ctrl+F will then click and drag on an atom in the view, click the numbered icons in the View selected entry in the Workspace: Right display the Find toolbar in either the Workspace. Toolbar ( , , , etc) or choose View > arrow or left arrow, respectively. Workspace or Project Table. Use Alt+N and Manage Views. Alt+P to traverse matches. Using the Style Toolbar Display entry information in the Workspace Style: Click and hold the Working with Projects Workspace: Click the button in the Select atoms in the Workspace: Click button to define visual styles. Click the Labels Toolbar or press the S key to Create a new project: Ctrl+N the button in the Edit Toolbar or button once to apply the currently defined display single-entry feedback. To change press the ` key to enter selection mode. style to the entire Workspace. Open an existing project: Ctrl+O or click which properties are displayed, right- Drag the mouse pointer over atoms in the button in the Project Toolbar. click on a column header and choose a the Workspace to select them. Click and Automatically apply style: Click the Workspace Feedback option from the hold the button to choose whether Close a project: Ctrl+W button to automatically reapply the menu that appears. Workspace selections capture atoms, workspace style whenever the contents of Save a project: Choose Project > residues, molecules, chains, or entries. the workspace change. Fix selected entry in the Workspace: Save As. Subsequent work is saved Right-click an entry and select Fix. automatically. Working With Surfaces and View interactions: Click the button to Include only selected entries in Hypotheses in the Project Table display H-bonds and contacts. Undo/Redo: Ctrl+Z or use the / Workspace: Ctrl+N while the mouse Open the Manage Surfaces panel for a buttons in the Edit Toolbar. pointer is over the Project Table. Create surfaces: Click the button given entry: Click in the right-hand to create ligand or binding-site surfaces. Display shortcut menus: Right-click side of the Title column. Exclude selected entries from Click and hold the button to show or hide and hold in an empty portion of the Workspace: Ctrl+X while the mouse existing surfaces. Workspace, on an Atom or Bond, in the Open the Manage Hypothesis panel for pointer is over the Project Table. This will Sequence Viewer, or on Project Table a given entry: Click in the right-hand not delete any entries from the Project rows or column headers. side of the Title column. Table. Keyboard and Toolbar Shortcuts in Maestro 9.3 Project Operations Workspace Operations Toolbar Guide Show/Hide Project Table: Ctrl+T Full screen Workspace mode: Press Ctrl+=. Press Esc or Ctrl+= to exit. New project: Ctrl+N Project Apply Workspace style: Ctrl+Y Open project: Ctrl+O Tile Workspace: Ctrl+L Close project: Ctrl+W Transform all tiles: Ctrl+Shift+L Edit Import structures: Ctrl+I Fit to selected atoms: Press Z. If no Cut: Ctrl+X atoms are selected, all Workspace contents will be fit to screen. Copy: Ctrl+C View Fit ligand to Workspace: L Paste: Ctrl+V Zoom in: K Paste by placing: Ctrl+Shift+V Zoom out: J Undo: Ctrl+Z Workspace Move clipping planes back: - Open Command Script Editor: Ctrl+E Move clipping planes forward: + Create Project Table entry from contents of Workspace: Ctrl+Shift+N Move clipping planes together: F Style Mark target entry: X Move clipping planes apart: G Display single-entry feedback in Toggle enhanced depth view on/off: D Workspace: S Saved Views Stereo view: Ctrl+S Quit Maestro: Ctrl+Q Go to previous/next scene: Ctrl+Shift+, Open help page for active panel: F1 and Ctrl+Shift+. Display Atoms Open online help: Ctrl+H Finding and Selecting Atoms Modifying Structures Find substructures or entries: Ctrl+F. Alt+N and Alt+P select next and Representation Toggle between local and global previous matches. transformation: Ctrl+G Activate atom selection tool: ` Delete selected atoms: Del Select clicked atoms: A Clean up geometry: Press U to perform a quick minimization with loose Select clicked bonds, residues, chains, Labels convergence criteria. molecules, or entries: B, R, C, M, or E, repsectively. Minimize structures in the Workspace: Press Ctrl+M to perform a more Select all: Ctrl+A thorough minimization. Saving Views and Scenes Using Atom Sets The Saved Views toolbar can be used Build Save selected atoms as Atom Set 1: to save and restore specific vantage Press Ctrl+1. Ctrl+0 through Ctrl+9 work points in the Workspace. To save and similarly. restore the contents of the Workspace, use the Workspace > Scenes > New and Select atoms from Atom Set 1: Press 1. Workspace > Scenes > Manage menu Keys 0 through 9 work similarly. items. Fragments