This is the Windows app named ChelomEx to run in Windows online over Linux online whose latest release can be downloaded as ChelomEx-1.2.zip. It can be run online in the free hosting provider OnWorks for workstations.
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Wine is a way to run Windows software on Linux, but with no Windows required. Wine is an open-source Windows compatibility layer that can run Windows programs directly on any Linux desktop. Essentially, Wine is trying to re-implement enough of Windows from scratch so that it can run all those Windows applications without actually needing Windows.
SCREENSHOTS:
ChelomEx to run in Windows online over Linux online
DESCRIPTION:
ChelomEx identifies chromatographic features of metal complexes and associated free ligands or other related adducts in high-resolution LC-MS data. A built-in graphical user interface and compound library aid in the efficient evaluation of the results.If you use ChelomEx for your research, please cite our Analytical Chemistry paper that describes the software (http://dx.doi.org/10.1021/ac503000e).
To comment, send bug reports or suggestions for additional features to be implemented in future versions please send me a message.
The current version ChelomEx 1.2 from 06 January 2016 includes the following changes to the original version (ChelomEx 1.0):
- function to filter discovered isotope patterns after the first analysis step (isotope pattern search), accessible in the Isotope Pattern toolbar (v1.2)
- updates for compatibility with MatLab versions after 2014b (v1.2)
- siderophore database update (v1.1)
- can now also analyze negative mode data (v1.1)
- bug fixes (v1.1)
Features
- Discovery of metal chelating agents from complex high-resolution LC-MS datasets
- High sensitivity and selectivity through identification of isotope pattern-matched chromatographic features and algorithms to test for chromatographic coherence
- An easy-to-use GUI facilitates entering search parameters and aids in evalution of the results
- Export of peak features for further targeted analyses of the found chelating agents
- A built in compound library suggests compounds as well as simple derivatives and adducts using the found high-resolution mass
Audience
Science/Research
Programming Language
MATLAB
This is an application that can also be fetched from https://sourceforge.net/projects/chelomex/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.