Alexandre Bonvin bio photo

Computational Structural Biology group focusing on dissecting, understanding and predicting biomolecular interactions at the molecular level.

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We are glad to announce the release of our POWERFIT web server.

PowerFit automatically fits high-resolution atomic structures in cryo-EM densities. To this end it performs a full-exhaustive 6-dimensional cross-correlation search between the atomic structure and the density. It takes as input an atomic structure in PDB-format and a cryo-EM density with its resolution; and outputs positions and rotations of the atomic structure corresponding to high correlation values. PowerFit uses the local cross-correlation function as its base score, enhanced by a Laplace pre-filter and/or core-weighting to minimize overlapping densities from neighboring subunits.

Read more about PowerFit in the following publications:

POWERFIT is also freely available for local installation through our GitHub repository: https://github.com/haddocking/powerfit. A Docker container is available from the INDIGO-Datacloud repository: https://github.com/indigo-dc/docker-powerfit.

The POWERFIT web server is powered by EGI (www.egi.eu) GPGPU HTC resources.

Its development was made possible with support from various grants:

  • Netherlands Organization for Scientific Research (NWO), ECHO grant no.711.011.009
  • European H2020 e-Infrastructure grant, EGI-Engage, grant no. 654142
  • European H2020 e-Infrastructure grant, INDIGO-DataCloud, grant no. 653549
  • European H2020 e-Infrastructure grant, West-Life VRE, grant no. 675858
  • European H2020 e-Infrastructure grant, BioExcel, grant no. 675728