Software
Below is a list of software developed in the YRC.
Currently only showing highlighted software. Show all software.
Currently showing all software. Show only highlighted software.
Mass Spectrometry
BiblioSpec
A suite of software tools for creating and searching MS/MS peptide spectrum libraries. The software is particularly useful for those performing repeated proteomics profiling experiments on the same organism. After the identity of a peptide spectrum has been determined, this information can be used to speed and improve all future analyses.
Bullseye
Bullseye takes high resolution accurate masses from full scan spectra and matches these masses to tandem MS scan events. The MS/MS spectra can then be database searched with a narrow precursor ion mass to reduce database search space and improve peptide sequence identification.
Census
Quantitative Analysis Tool for both labeling and labeling free analysis. Visit Census web page for more info.
Charge Prediction Machine (CPM)
Charge Prediction Machine: Tool for Inferring Precursor Charge States of Low Resolution.
Crux
Crux analyzes shotgun proteomics tandem mass spectra, associating peptides with observed spectra.
DFCalc
Biological mass spectrometry need not be limited to peptides, of course. DFCalc is software designed to assist the interpretation of tandem mass spectra from DNA molecules. The program predicts the fragment ions for known sequences, producing a list to be compared against a spectrum.
DTASelect / Contrast
DTASelect and Contrast were designed to make interpretation and comparison of proteomic data faster and more effective. DTASelect organizes and filters SEQUEST identifications, reducing the time required to interpret the results for each sample. Contrast differentiates multiple samples and comprises a powerful meta-analytical tool.
GutenTag
GutenTag is software to identify peptides by the sequence tagging technique. SEQUEST searches a sequence database by mass, but GutenTag searches with short sequences derived directly from the spectrum.
Hardklor
![](/yeastrc/images/hardklor_logo.png)
IDCalc
An implementation of the method reported by Kubinyi, Analytica Chimica Acta, 247 (1991) 107-119 for the prediction of isotope distributions.
Lorikeet
Lorikeet is a JQuery plugin to view MS/MS spectra annotated with fragment ions. The viewer is interactive with zoom capabilities, selection of fragment types, switching annotations on and off etc. The plugin can, optionally, also render a MS1 spectrum below the MS/MS spectrum. Lorikeet uses the Flot plotting library.
MakeMS2
A windows client program used to produce compact and easily parsed text based file formats for shotgun proteomic spectra and indentifications.
MScout
MScout is a program that we have used for assessing LC-MS data quality.
MSDaPl
A relational database and accompanying web application for unifying, storing, viewing, and comparing protein mass spectrometry results from a wide range of proteomics platforms.
Mzxml2msn
Mzxml2msn is a Java program we developed to convert mzXML to ms1 and ms2 files. Although our ProLuCID and Census can handle mzXML files, we prefer to use ms2 and ms1 files for computational effeciency.
NoDupe
NoDupe identifies similarity among uninterpreted tandem mass spectra. Optionally, the program can remove duplicate copies of spectra.
PAnDA
![](/yeastrc/images/panda_logo.png)
PatternLab
Provides tools for analyzing shotgun proteomic data quantitated by spectral counting (with DTASelect) or labeling (with Census). The modules provide means to point differentialy expressed proteins / peptides (ACFold / TFold modules), find proteins with simmilar expression profiles in time-course experiments (TrendQuest module), find unique proteins to a state (Area proportional venn diagram module) and help interpreting results according to the Gene Ontology (Gene Ontology Explorer module). Minimum requirements: a computer with Windows XP SP2.
Percolator
A semi-supervised machine learning approach for improving the analysis of tandem mass spectrometry data of peptides. Percolator uses a machine learning technique call a support vector machine to dynamically discriminate between correct and decoy spectrum identifications obtained by database searching. By using our approach, we are able to identify approximately 50% more peptides from a given μLC-MS/MS dataset.
ProLuCID
ProLuCID is a fast and sensitive tandem mass spectra-based protein identification program recently developed in the Yates laboratory at The Scripps Research Institute.
QCorr
The QCorr algorithm compares a tandem mass spectrum to a reversed copy of the same spectrum using a cross correlation.
RawExtractor
RawExtractor is a program to extract MS and MS/MS spectra from RAW files generated by Thermo mass spectrometers, such as LTQ, LTQ-Orbitrap, LCQ, and stores the spectra in ms1, ms2 or mzXML file format. The spectra files generated by RawExtractor program are used as input for protein identification programs SEQUEST, ProLuCID and quantitatation program Census.
RelEx
Quantitative Analysis Tool. Visit RelEx web page for more info.
SEQUEST
A method for performing protein identification & peptide sequencing by utilizing mass spectrometry fragmentation patterns to search protein and nucleotide databases has been developed by our lab. Our program, SEQUEST, converts the character-based representation of amino acid sequences in a protein database to fragmentation patterns which are compared against the MS/MS spectrum generated on the target peptide. The algorithm initially identifies amino acid sequences in the database that match the measured mass of the peptide, compares fragment ions against the MS/MS spectrum, and generates a preliminary score for each amino acid sequence. A cross correlation analysis is then performed on the top 500 preliminary scoring peptides by correlating theoretical, reconstructed spectra against the experimental spectrum. Output results are displayed accordingly.
Skyline
![](/yeastrc/images/Skyline.png)
Topograph
Topograph is an advanced program for the analysis of proteomics data using stable isotope labeling. This software is still in the early stages of development. Improvements are added regularly.
YADA
![](/yeastrc/images/YADALogo.png)
Protein Structure Prediction
Philius
Philius uses Hidden Markov Models (HMM) to predict transmembrane protein topology and signal peptide position.
Rosetta
![](/yeastrc/images/Rosetta_Image.gif)
Fluorescence Microscopy
FRETSCAL
FRETSCAL screens images of cells that contain CFP and YFP tagged proteins in order to determine the extent of energy transfer(FRET)between the two fluorophores. The graphical user interface (GUI) of FRETSCAL allows the user to specify criteria that are used to identify areas of interest (AOIs) in the images.
Computational Biology
qvality
qvality performs nonparametric estimation of posterior error probabilities.
Informatics
JobCenter
JobCenter is a novel client/server architecture for distributing and executing computing jobs across heterogeneous computing environments, such as those typically found in research laboratories.
Mason
Mason is a portable web site module designed to visualize and compare annotated features of one or more nucleotide or protein sequence.
SnipViz
SnipViz is a client-side software tool designed to disseminate multiple versions of related gene and protein sequences on web sites.