Isotope Pattern Calculator (IPC)
The Isotope Pattern Calculator calculates and displays the isotopic distribution and exact masses for peptides and other molecules. Users are given extensive control over the operation with options such as chemical modifications and instrument resolution. Results are displayed either on a plot or in table form.
Features:
- Calculate isotopic peak masses and their relative intensities
- Interactive interface
- Caches computed results to disk to avoid unnecessary recalculations
- Can calculate distributions for any chemical formula by leaving peptide sequence blank and specifying only modifications
- Supports peptide/residue modifications
- Can select charge state
- Can customize instrument resolution
- Can batch process list of peptides from a file
Output Formats
- Display calculated peaks on a plot (as sticks or Gaussian peaks)
- View results in a table that can be copy and pasted to Excel or other software
- Save results to text file
This software requires that the Java 6 Runtime be installed prior to use. You can download the standard edition of Java from Java.com
Note: This software is an extension of the C-based Isotopic Pattern Calculator, developed by krugaan and posted to Sourceforge in 2005.
| Download Software Tool | Download Source Code |
| Version | v1.0 revision 4938 | Requirements | Java Runtime Environment, v1.5 |
| Date Updated | September 11, 2009 | File Size (Software Tool) | 1.7 MB (ZIP) |
| Registration Required | No | File size (Source Code) | 81 KB (ZIP) |
| Developers | Michael Cusack | ||
| Comments | See the complete Revision History for a history of changes | ||
Isotope Pattern Calculator Feature Tour
Screenshot
Example Results
| m/z | Portion of total | Relative Intensity |
|---|---|---|
| 800.36724052 | 65% | 100% |
| 801.37059536 | 26% | 41% |
| 802.37395020 | 7% | 11% |
| 803.37484114 | 1.48% | 2.28% |
| 804.37819597 | 0.25% | 0.39% |
| 805.37908691 | 0.04% | 0.06% |
Acknowledgment
All publications that utilize this software should provide appropriate acknowledgement to PNNL and the OMICS.PNL.GOV website. However, if the software is extended or modified, then any subsequent publications should include a more extensive statement, using this text or a similar variant:
Portions of this research were supported by the NIH National Center for Research Resources (Grant RR018522), the W.R. Wiley Environmental Molecular Science Laboratory (a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research and located at PNNL), and the National Institute of Allergy and Infectious Diseases (NIH/DHHS through interagency agreement Y1-AI-4894-01). PNNL is operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC05-76RL0 1830.