![]() The pull down menu selects the coordinate view mode (either cartesian or gaussian style internals).Stick Coords: (the little hammer) Changes the current rotated orientation to the reference orientation (ie the one whose coordinates are displayed in the cartesian coordinates view).Bond Update: Updates the bond list by reapplying the auto-bond operation.New: creates a new hydrogen atom at the origin which you can then edit into any atom type and position you like.The controls at the top of the window do the following (in order from left to right): The Main Display will be updated as soon as you finish typing and hit return or tab or click outside the edit field. To edit any value simply double click on that value. The coordinates can be displayed as cartesian coords or as gaussian style internal coordinates (as shown above). The coordinates window displays the current set of coordinates for the current frame. Note that the following keys have special functions: This will provide good quality when printed out later. You can copy and paste image directly from MacMolPlt into other applications, however For better printout I suggest use the image export option with a resolution of 300 dpi and then import the file into the other application. To delete an annotation right click on it or choose the Delete All Anotations item in the Annotations submenu. In each case select the approriate number of atom(s) then either right click on one of the selected atoms or choose the action from the Annotations submenu under the View menu. These including marking an atom (to make it stand out), displaying the length between two atoms, displaying the angle between three atoms and displaying the dihedral angle formed by four atoms. There are several annotation you can add to the molecule display. ![]() These options include ball and stick versus wire frame style display (You can get a space filling display with ball and stick mode by increasing the atom size in the preferences), atom labels (symbol and/or serial number), normal mode display, zoom, orientation and more. These options can be found under the View menu or in the Preferences window. There are many options effecting the molecule display. Right click on a selected atom to get a popup menu of annotations.Right click on bonds or annotations to get a popup menu of actions.Hold both the shift and command keys down while dragging with the left key to translate into/out of the screen.Drag with the right mouse button down to translate (or hold the control key down while draggin with the left button.Use the scroll wheel to zoom or hold the shift key down while dragging with the left mouse button down.Left click and drag anywhere in the molecule display to rotate.Left click on an atom or bond to select (hold down the command key and left click on additional atoms to increase the number of selected atoms).Mouse control: (On the Mac the command key is the usual Apple key, on Windows and Linux it is the control key) In the main part of the window is the molecule display. ![]() On the left is a scroll bar which indicates which frame in a series of frames is being displayed. At the bottom of the window on the left MacMolPlt prints out the energy and/or the current frequency. It is where the molecule is displayed along with normal modes and surfaces. ![]() The main display is the master window for each file (or unsaved set of data). Each file that is opened has its own set of windows. The most important windows in MacMolPlt are:Įach of these windows can be opened or brought to the front (the Main Display window can not be closed without closing the file) through the subwindow menu.
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