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+ source
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+ =============
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+
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+ This contains the source code. It contains the following folders:
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+
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+ - [ Examples] ( examples/ )
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+
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+ Examples
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+ =============
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+
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+ This folder contains example scripts using pyOpenMS:
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+
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+ * ` convertToMGF.py `
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+ * A simple script to convert any spectra file readable by OpenMS (for
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+ example ` mzXML ` or ` mzML ` ) to the ` MGF ` format. Python is only used to
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+ read in the spectra while writing of MGF is done natively in Python. MGF
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+ is used an example of any file format that is not currenly available
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+ through the OpenMS C++ library, showing how such a sample implementation
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+ could look like.
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+ - ` peakpicker_scipyFFT.py `
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+ * A peakpicker using fast fourier transform (FFT) provided in ` scipy ` to
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+ smooth the provided spectrum and then applies the OpenMS
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+ ` PeakPickerHiRes ` on the result. The input spectrum and the picked peaks
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+ are then plotted using ` matplotlib ` , completing the integration of Python
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+ and OpenMS on multiple levels.
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+ - ` pymol_example.py `
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+ * An example of mapping identified peptide sequences from an MS/MS
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+ experiment onto a 3D crystal strucutre of a protein using Python with
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+ ` pymol ` .
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+ - ` runPhosphoScoring.py `
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+ * An implementation of a phospho-site scoring algorithm completely in
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+ Python using the available OpenMS data structures. It compares its result
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+ with the search-engine provided result and the one of the AScore
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+ algorithm as implemented in OpenMS.
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