IPC (Isotopic Pattern Calculator) is a tool for mass spectrometry that calculates the isotopic distribution of a given chemical formula or peptide sequence. It uses gnuplot to visualize the results.
|Tags||Scientific/Engineering Chemistry Bioinformatics Visualization|
Release Notes: GIPS uses now a complete list of elements and isotopes. The list of elements is taken from the NIST. A "new" menu entry was added to reset the results. The display of sum formulas was rebuilt, and now it utilizes pango to display subscripts.
Release Notes: A complete list of elements and isotopes is now used. The list of elements is taken from the NIST.
Release Notes: Calculated results can now be saved. An option to show all peaks was added along with an option for calculating an approximate solution.
Release Notes: The use of gettext is configured. Translation files for English and German have been added. An option to determine the minimum relative intensity to be displayed has been added. The number of displayed decimal places now depends on the current settings. After settings have been changed, the displayed results are automatically updated. An option to choose the minimum relative intensity to be displayed has been added.
Release Notes: Some ugly code that creates the gnuplot output has been changed. The file elemente is now installed in the directory $PREFIX/share/ipc. Potassium has been added to the list of elements.