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ScrewFit

by Paolo Calligari last modified 2015-05-06 11:36


ScrewFit is an Open Source program for protein secondary structure determination and characterization. It provides an efficient description of structural motifs based on simple geometrical assumptions.

The algorithm implemented in ScrewFit determines the orientational distances of consecutive peptide planes using quaternion-based superposition fits combined with the Chasles' Theorem. This approach gives a description of structural elements in terms of screw motions parameters and local-helices.

References:
Calligari, P. Kneller, G.R. Acta Crystallographica , D68, 1690-3 (2012) --> link.
Kneller, G.R., Calligari, P. Acta Crystallographica , D62, 302-311 (2006) --> link.





Current Release

The current release 1.0.4 of ScrewFit is under active development and it has been tested on Linux and MacOSX machines.
You can install local version of the ScrewFit software package following the instructions given in Get & Install page.


Webserver

ScrewFit can also be run from the web either by uploading a PDB file or typing a PDB code : ScrewFit server
Please, be aware that this web server is still under test and may become temporarily unavailable or change URL address in the next future.


For Help & comments...


If you need help to install or to run ScrewFit, please don't hesitate to contact me here:

email: paoloDOTcalligariATunipdDOTit


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