PowerFit fits your 3D structures in any map!
- PowerFit automatically fits high-resolution atomic structures into 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- or mmCIF-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. The score is by default enhanced with an optional Laplace pre-filter and a core-weighted version to minimize overlapping densities from neighboring subunits.
- In order to constantly improve our service and give you the best experience, we would really appreciate if you could take the time to complete our short online survey (~5min) available here: https://goo.gl/forms/mmO4PLP8SCweKr5r2
- PowerFit webserver
- REGISTRATION: To use the PowerFit server you must have registered for an account. If you do not have an account yet you can register here
- Submit your job to:
Average run time in minutes (5 runs each, excluding pre- and post-processing, and queued time) for fitting chain C of the GroEL-ES complex (PDB: 3zpz, 525 residues) into the corresponding map (EMD-2325, Resolution: 8.9 Å, Estimated Volume: 936 nm3) with a rotational sampling interval of 5° and 10°, submitted to the local CPU and grid GPGPU resources via the PowerFit web server.
- Powerfit Webinar
Watch the 11th BioExcel Webinar on “Robust solutions for cryoEM fitting and visualisation of interaction space”. This Webinar presented by the PowerFit team features a comprehensive overview about the general methodology and algorithms behind PowerFit. Furthermore it provides a quick introduction to the PowerFit web portal implementation including a live demo of the portal.
- Reference for use of the server
- When using the PowerFit server please cite:G.C.P. van Zundert, M. Trellet, J. Schaarschmidt, Z. Kurkcuoglu, M. David, M. Verlato, A. Rosato and A.M.J.J. Bonvin.and add the following acknowledgment:
The DisVis and PowerFit web servers: Explorative and Integrative Modeling of Biomolecular Complexes. J. Mol. Biol., Advanced Online Publication (2016).
G.C.P. van Zundert and A.M.J.J. Bonvin (2015)
Fast and sensitive rigid-body fitting into cryo-EM density maps with PowerFit."
AIMS Biophysics 2, 73-87.The FP7 WeNMR (project# 261572), H2020 West-Life (project# 675858) and the EOSC-hub (project# 777536) European e-Infrastructure projects are acknowledged for the use of their web portals, which make use of the EGI infrastructure with the dedicated support of CESNET-MetaCloud, INFN-PADOVA, NCG-INGRID-PT, TW-NCHC, SURFsara and NIKHEF, and the additional support of the national GRID Initiatives of Belgium, France, Italy, Germany, the Netherlands, Poland, Portugal, Spain, UK, Taiwan and the US Open Science Grid.
- PowerFit software
- You can also install PowerFit directly on your computer. Source code is available under Apache 2.0 license here: Github::PowerFit