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Article ID: 256 - Last Modified: April 30, 2012

Is it possible to run shape screening over multiple CPUs, generating conformers on-the-fly?

Yes. This can be done from the GUI as of Suite 2011, but in earlier releases, the job has to be run from the command line, using the '-split' option to $SCHRODINGER/phase_shape.

Keywords: Phase, shape screening, multiple cpu

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