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Pharmacelera_​VS_​MultiServer

Workflow

Pharmacelera_VS_MultiServer

Workflow to run the 3D Ligand-Based Virtual Screening, with PharmScreen, remotely on a variable number of machines.

- To run the workflow fill each option of the Settings node, optionally is possible to perform a customized Virtual Screening changing the parameters on the Virtual Screening node.

Pharmacelera Knime WorkFlow: Pharmacelera_VS_MultiServerWorkflow to run the 3D Ligand-Based Virtual Screening, with PharmScreen, remotely on a variable number of machines.- To run the workflow fill each option of the Settings node, optionally is possible to perform a customized Virtual Screening changing the parameters onthe Virtual Screening node. Settings Parallel Execution Output sdfRankingcsvRanking ParallelChunk Start Settings Virtual Screening Parallel ChunkEnd (multi port) SDF Writer CSV Writer csvRankingPreparation Joiner sdfRankingPreparation Pharmacelera Knime WorkFlow: Pharmacelera_VS_MultiServerWorkflow to run the 3D Ligand-Based Virtual Screening, with PharmScreen, remotely on a variable number of machines.- To run the workflow fill each option of the Settings node, optionally is possible to perform a customized Virtual Screening changing the parameters onthe Virtual Screening node. Settings Parallel Execution Output sdfRankingcsvRanking ParallelChunk Start Settings Virtual Screening Parallel ChunkEnd (multi port) SDF Writer CSV Writer csvRankingPreparation Joiner sdfRankingPreparation

Download

Get this workflow from the following link: Download

Resources

Nodes

Pharmacelera_​VS_​MultiServer consists of the following 45 nodes(s):

Plugins

Pharmacelera_​VS_​MultiServer contains nodes provided by the following 7 plugin(s):