📌 This private repository contains the internal codebase for the pyDock family of tools and related servers. The pyDock framework was initially developed at the University of Cambridge, and later rewritten, modernized, and implemented as a suite of web servers at the Barcelona Supercomputing Center (BSC) within the former Protein Interactions and Docking Group. These tools are now maintained and further developed by the Model3DBio Group at the Institute of Grapevine and Wine Sciences (ICVV–CSIC).

Below is the list of public servers whose source code is privately maintained here:

URL: https://life.bsc.es/pid/pydock/
Fast docking scoring protocol based on electrostatics and desolvation to rank FFT-generated conformations.

URL: https://life.bsc.es/pid/pydockweb/
Web server for predicting protein–protein interaction structures through rigid-body docking.

URL: https://life.bsc.es/pid/pydockeneres
Computes per-residue energy contributions in protein–protein interfaces.

URL: https://life.bsc.es/pid/pydockrescoring
Standalone pipeline and web service for rescoring docking poses generated by pyDockWEB.

URL: https://life.bsc.es/pid/pydocksaxs
Rigid-body docking with SAXS-guided scoring refinement.

URL: https://model3dbio.csic.es/pydockdna
Web server for docking between proteins and DNA molecules.

This repository hosts:

• The private source code of the pyDock engines.
• Legacy modules developed at BSC.
• Updated and optimized versions maintained by the Model3DBio Group.
• Interfaces and utilities used by the public servers listed above.

If you need access, want to collaborate, or would like to propose improvements:

• Open an Issue in this repository.

• Contact the maintainers:

  • J. Fernández-Recio (PI): [email protected]
  • L. A. Rodríguez-Lumbreras: [email protected]

Este repositorio privado contiene el código interno de pyDock y sus servidores asociados, desarrollado originalmente en el Barcelona Supercomputing Center (BSC) dentro del antiguo Protein Interactions and Docking Group, y actualmente mantenido por el Grupo Model3DBio (ICVV–CSIC).

• pyDock — https://life.bsc.es/pid/pydock/
• pyDockWEB — https://life.bsc.es/pid/pydockweb/
• pyDockEneRes — https://life.bsc.es/pid/pydockeneres
• pyDockRescoring — https://life.bsc.es/pid/pydockrescoring
• pyDockSAXS — https://life.bsc.es/pid/pydocksaxs
• pyDockDNA — https://model3dbio.csic.es/pydockdna

Solo dime.