Usage of iso2l.
To compute an isotopic distribution of a compound type its chemical formula to the upper text field. The tool is also able to determine the elemental composition from amino acid chains. It tries to guess the type of input, if that fails you can give a hint with the chooser in the upper left corner, see figure 1.
Here are some samples for input:
In the upper left side of the window you’ll find the settings. Top-down and left-right you can define:
The results are displayed in form of a table and a graphic. The table contains masses and abundances of each peak. Its initially sorted by abundances, but you can resort the values by clicking the header. The graphic contains a visual feedback of the isotopic cluster. If you hover with your mouse you’ll see the abundance and mass at this point. You can zoom into a specific mass window, just right click on one border of the mass window to show and move to the other boundary before releasing the right button. Of course you can zoom into an area of this area again. Double-click to switch one zoom back, or right-click and choose Full unzoom to get back to the initial zoom level.
The results can be exported with the buttons in the upper right corner. Copy table will copy the contents of the table to your clipboard so you can paste them to any editor of your choice. Save graphics will create an image of the displayed graphic, you can decide where to save it.
There are also two shortcuts for saving and copying.
Ctrl+C will copy the table, while
Ctrl+S will save the graphics. So you are able to save a graphic with a fade, see figure 4.