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Desmond Tutorial

Desmond Tutorial - DE Shaw Research

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<strong>Desmond</strong> <strong>Tutorial</strong><br />

Visualization and Analysis using Maestro<br />

Figure 8.1 Launching the Trajectory Player<br />

Click the ‘T’ button to open<br />

the Trajectory Player.<br />

3. Click the T button to open the Trajectory Player.<br />

The Trajectory Player is shown in Figure 8.2 and the associated Maestro Workspace<br />

view can be seen in Figure 8.3.<br />

The Trajectory Player has two sets of options for frame control and display properties;<br />

the best way to learn about these options is to experiment with them. The Trajectory<br />

Player is fully documented in the Schrödinger <strong>Desmond</strong> User Manual listed in<br />

“Documentation Resources” on page 97.<br />

NOTE In most cases you do not want the entire system to be displayed when, for example,<br />

visually inspecting the conformational changes of a protein molecule along the trajectory.<br />

The Trajectory Player recognizes Maestroʹs current display settings, which means<br />

that you can select/deselect any set of atoms for display using the<br />

Display > Display > Undisplay Atoms menu options and you can also render the atoms in<br />

any way you want. The Trajectory Player will generate a smooth animation with your<br />

current display settings and you can even save it in an MPEG movie file for incorporation<br />

in any presentation material.<br />

Figure 8.2 The Trajectory Player<br />

Control the frame for the<br />

Trajectory Player with these<br />

options.<br />

Control the display of the<br />

Trajectory Player with these<br />

options.<br />

82 D. E. Shaw Research September 2008

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