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.
- 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.
- 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 H2020 e-Infrastructure projects West-Life (grant no. 675858), EGI-Engage-MobrainCC (grant no. 654142) and INDICO-DataCloud (grant no. 653549) are acknowledged for the use of their web portals, which make use of the EGI infrastructure.
- PowerFit software
- You can also install PowerFit directly on your computer. Source code is available under Apache 2.0 license here: Github::PowerFit