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Software by Bruker used with mass spectrometry instruments. DeNovoGUI Open source: The software has a graphical user interface for running parallelized versions of the freely available de novo sequencing software tools Novor and PepNovo+. [51] Easotope Open source: Easotope software archives, organizes, and analyzes mass spectrometer data.
Mass spectrometry is a scientific technique for measuring the mass-to-charge ratio of ions. It is often coupled to chromatographic techniques such as gas-or liquid chromatography and has found widespread adoption in the fields of analytical chemistry and biochemistry where it can be used to identify and characterize small molecules and proteins ().
Old-fashioned interface; very good software for the experienced bioinformatician; nearly 2000 protein-structure related options; comes with 500 page writeup. YASARA: HM NMR XRC: Proprietary, limited free version C-assembly, Windows, Linux, Mac [34] [self-published source?]
SIRIUS is a Java-based open-source software for the identification of small molecules from fragmentation mass spectrometry data without the use of spectral libraries. It combines the analysis of isotope patterns in MS1 spectra with the analysis of fragmentation patterns in MS2 spectra.
Raman Tool Set is a free software package for processing and analysis of Raman spectroscopy datasets. It has been developed mainly aiming to Raman spectra analysis, but since it works with 2-columns datafiles (Intensity vs Frequency) it can deal with the results of many spectroscopy techniques.
JCAMP-DX are text-based file formats created by JCAMP for storing spectroscopic data. It started as a file format for Infrared spectroscopy. [1] It was later expanded to cover Nuclear magnetic resonance spectroscopy, [2] mass spectrometry, [3] electron magnetic resonance [4] and circular dichroism spectroscopy. [5]
The SPC file format is a file format in which all kinds of spectroscopic data, including among others infrared spectra, Raman spectra and UV/VIS spectra. The format can be regarded as a database with records of variable length and each record stores a different kind of data (instrumental information, information on one spectrum of a dataset ...
structure editable, show bond in helix sequence regions, 2D molecule viewer MUSCLE, MAFFT, ClustalW, ProbCons, FastAligner (region-align+auto-reference) arb-parsimony & -NJ, RAxML, PHYML, Phylip, FastTree2, MrBayes Edits huge alignments and trees. Supports NUCs + AA. Displays codons below DNA.
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