Average tumbling cross section of a molecule
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README.md

README.md

tumbling_cross_section

Average tumbling cross section of a molecule


Publications:

[ European Journal of Mass Spectrometry, 2009;15(2):113-30. Deciphering drift time measurements from travelling wave ion mobility spectrometry-mass spectrometry studies. Smith DP1, Knapman TW, Campuzano I, Malham RW, Berryman JT, Radford SE, Ashcroft AE.] (http://www.ncbi.nlm.nih.gov/pubmed/19423898)

[ International Journal of Mass Spectrometry, 2010;298:17-23. Considerations in experimental and theoretical collision cross-section measurements of small molecules using travelling wave ion mobility spectrometry-mass spectrometry. Tom W. Knapman, Joshua T. Berryman, Iain Campuzano, Sarah A. Harris, Alison E. Ashcroft.] (http://www.sciencedirect.com/science/article/pii/S1387380609003066)


To download using git:

git clone https://github.com/tojb/tumbling_cross_section.git


To compile on Linux:

cd src; make


To install on Linux:

cd src; make; sudo make install


To compile on Windows:

--Install minGW (a free C compiler)

run src/compile_minGW.bat