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FEP+ Web Services

FEP+ Web Services enables you to run cloud-based FEP+ jobs using a secure Schrödinger web service.

FEP+ Web Services Workflow

Initial Requirements

Users must enable the FEP+ related panels in Maestro by installing the FEP+ Web Services Key as detailed in the emailed license instructions.

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Jobs run with FEP+ Web Services are set up in the same way as other FEP+ jobs. See FEP+ Panel for more information on setting up FEP+ jobs in Maestro.

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Jobs are submitted to FEP+ Web Services from the FEP+ Panel and monitored in the FEP+ Web Services Job Table Panel. See FEP+ Web Services Job Table Panel for more information on how to submit, monitor, and download jobs.

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See Editing the Perturbation Map for how to edit Perturbation Maps from a FEP+ Web Services job.

See FEP+ Web Services Command Line Tasks for information on how to perform command line tasks such as extend the simulation time, download trajectories, and list jobs.

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Troubleshooting

See Troubleshooting for how to resolve common issues encountered while running FEP+ Web Services.