MacroModel Quick Start Guide - ISP
MacroModel Quick Start Guide - ISP
MacroModel Quick Start Guide - ISP
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Chapter 1: Getting <strong>Start</strong>ed4. Open the folder that contains the tutorial files:a. Choose Run from the <strong>Start</strong> menu.b. Enter %SCHRODINGER% in the Open text box and click OK.c. Open the <strong>MacroModel</strong>-vversion folder (version is the 5-digit <strong>MacroModel</strong> versionnumber), then open the samples folder inside that folder, then the <strong>Quick</strong>Topicsfolder.5. Select all the files in the <strong>Quick</strong>Topics folder, and drag them to the folder you created inStep 3.1.3.2 <strong>Start</strong>ing MaestroOnce you have created the working directory you can start Maestro.UNIX:1. Set the SCHRODINGER environment variable to the installation directory:csh/tcsh: setenv SCHRODINGER installation_pathbash/ksh: export SCHRODINGER=installation_pathThis environment variable is also required to run <strong>MacroModel</strong> jobs.2. If the current directory is not already your working directory, change to this directory.cd workdir3. Enter the command:$SCHRODINGER/maestro &The Maestro main window is displayed, and the working directory is Maestro’s currentworking directory.Windows:• Double-click the Maestro icon on the desktop.You can also use the <strong>Start</strong> menu. Maestro is in the Schrödinger submenu.<strong>MacroModel</strong> 9.7 <strong>Quick</strong> <strong>Start</strong> <strong>Guide</strong> 3