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Article ID: 252 - Last Modified: December 4, 2010

Is it possible to run a Phase 'Find matches' job on an SD file from the command line, using multiple processors?

You can do this by using $SCHRODINGER/phase_gridSearch, which can search one or more SD files on multiple CPUs with conformer generation. Despite the name, a grid computing environment is not needed. Tutorial files can be found here:

$SCHRODINGER/phase-vversion/tutorial/gridSearch_tutorial*

Keywords: Find matches, command-line, multiple processors, Phase

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