IMPACT is a collision cross-section calculator that was designed for high performance, accuracy, precision, flexibility, and ease of use use. It calculates collision cross-sections at record speed using an octree-augmented projection approximation. Calibration entails accurate prediction of the Trajectory method, with a typical error of less than a per cent [1]. IMPACT is run from the command line and currently takes pdb and xyz files as input and reports the cross section(s) to the standard output, or optionally to a user-specified file.

[1] Marklund et al., Collision Cross Sections for Structural Proteomics, Structure (2015)
http://dx.doi.org/10.1016/j.str.2015.02.010

http://www.cell.com/structure/abstract/S0969-2126(15)00072-6

NEWS

16/01/2016: Due to problems with library dependencies, OpenMP parallelisation has been temporarily disabled for the OS X version of IMPACT. This makes no difference for the performance when IMPACT is run with default options, since it runs serially by default. If you have had problems running IMPACT on OS X, please try this new build.

20/04/2015: IMPACT version 0.9.1is released. This release introduces a few new options to facilitate communicating input and output data, and solves an issue with wildcard expansion on Windows. RELEASE NOTES

Impact Software is available for download here.

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The Software is distributed "AS IS" under this Licence solely for non-commercial use. If you are interested in using the Software commercially, please contact the technology transfer company of the University, to negotiate a licence. Contact details are: innovation@isis.ox.ac.uk