Template for protein pockets search
Version 1

Workflow Type: Scipion
Stable

This workflows contains a pipeline in Scipion that performs the following steps:

  1. Import atomic structure: introduces a protein atomic structure in the pipeline as receptor.

  2. Receptor preparation: uses bioPython to prepare the receptor structure, removing waters, adding hydrogens and removing unnecessary chains if asked. Also, uses PDBFixer to optimize the structure if selected.

  3. Protein pocket search: uses 3 different software (P2Rank, AutoSite and FPocket) for predicting the receptor pockets.

  4. Performs a consensus over the predicted pockets to extract those that are shared among the different programs.

Version History

Version 1 (earliest) Created 10th Dec 2025 at 10:59 by Daniel Del Hoyo

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Created: 10th Dec 2025 at 10:59

Last updated: 10th Dec 2025 at 12:08

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Agricultural and Biological Sciences
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