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Showing 11 open source projects for "ion"
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APBSmem is a Java-based graphical user interface for Poisson-Boltzmann electrostatics calculations at the membrane. APBS version 1.2.0 or later is required.
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MGF2MGF CH
Convert mgf mass values to their nearest elemental formula
MGF2MGF CH processes mgf files (mascot generic format). It: converts masses to their nearest elemental formula mass (provided that you supply an empirical formula), can normalise intensities to the base peak of a block of ions, produces a new file with the prefix of your choice. You: specify the input line that contains the empirical formula of the parent ion, specify the key that identifies a formula and then the formula) separated by one space character, either... -
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Ionwinze
Spot the differences between samples, groups and classes
To download please go to Browse All Files for the complete pack! In mass spectrometry the detector responses are not always directly proportional to the quantity of compounds. Large peaks in LCMS traces are not equal to major components but their ionizability. The effectiveness of a medicinal plant, poisons in a mushroom, resistance and susceptibility to pest and diseases are not necessarily because of the compounds that give large peaks. These traits are determined by the different... -
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MuffinEC
Multi-technology, INDEL aware error correction for NGS data
MuffinEC is an error correction software capable of handling all types of errors (insertion deletions, mismatches and unknown bases). It officially supports four technologies (Illumina, 454, ion Torrent and PacBio - experimental) and it also has a generic setup for others (old and/or new). It is released under LGPL version 3.0. MuffinEC can use multicore systems, thanks to its OpenMP implementation. We are developing the 2nd version of MuffinEC. The beta version is already available online... -
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The Genome Mappability Analysis suite is used for measuring how well NGS reads can be mapped to reference genomes, especially for discovering variations
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NOFI ranking
The Non-Outlier Fragment Ion ranking for enhaced DIA quantification
The NOFI ranking algorithm has been developed to assign low priority to fragment ions affected by interference. The implementation is an R script that can be customized. A future version will contain a modular version. The outline is as follows: 1) The input contains the list of SWATH fragment ion XICs from the identified and quantified peptides by software tools such as Skyline and OpenSWATH. 2) The first step in NOFI is the computation of the 4 attributes (RTd, FWHMd, IRd and IRrep) used... -
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swathTUNER
Software tool for optimizing data-independent acquisition methods
SwathTUNER combines usability and flexibility for the selection of different SWATH data acquisition strategies to address the requirements of multiple experimental conditions. It can be used for any acquisition instrument, including FT-based analyzers, where the same principles with respect to variable precursor isolation windows apply. Fixed and variable windows based on equalizing the distribution of either the precursor ions or the total ion current within each window can be created. -
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AbMining ToolBox
python scripts to analyze antibody libraries
02-14-2014. Hamming distance calculation has been updated. These are python scripts to analyze antibody libraries sequenced by next generation sequencing methods (454, Ion Torrent, MiSeq) as described in D'Angelo et al MAbs. 2014 Jan 1;6(1):160-72. -
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RICmerge
Improved Isobaric Label Reporter Ion Assignment
This script and underlying data are in support of the manuscript entitled "Improved reporter ion assignment of raw isobaric stable isotope labeled LC-MALDI-TOF/TOF MS/MS spectral data for quantitative proteomics". Authors: Thomas Jakoby, Andreas Tholey and Bart H.J. van den Berg* * = corresponding author bvdberg@live.com -
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A software to control a scanning ion conductance microscope, set up as described in http://www.blackwell-synergy.com/doi/abs/10.1046/j.1365-2818.2003.01248.x
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A Mass Spectrometer B and Y ion labeling software for proteomics researchers. Peptide sequences can be read from a library and b and y ions will be calculated and sequence can be manipulated by the user (chem. mod. or amino acid mod.)
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