Match MS signals to molecules from a database by mass. Web Documentation for AccurateMassSearch

This script performs a pairwise superposition of multiple structures using the C-alpha atoms of selected residues. The reference …

Assay library generation from DDA data (Metabolomics) Web Documentation for AssayGeneratorMetabo

Assigns double and triple bonds to input structures based on molecular geometry (bond length, bond angles, and dihedral angles). …

Calculate a Boltzmann population for selected entries and add it as a property. This calculates the Boltzmann energy (property 'r…

A tool for visualization and validation of PSI mapping and CV files. Web Documentation for CVInspector

Creates pseudo spectra. Web Documentation for ClusterMassTraces

Correlate precursor masstraces with fragment ion masstraces in SWATH maps based on their elution profile. Web Documentation for C…

Filters a protein database (FASTA format) based on identified proteins Web Documentation for DatabaseFilter

Orders the spectra of MALDI spotting plates correctly. Web Documentation for DeMeanderize

Create decoy sequence database from forward sequence database. Web Documentation for DecoyDatabase

Digests a protein database in-silico. Web Documentation for Digestor

digests a protein database in-silico Web Documentation for DigestorMotif

Util which can be used to evaluate pair ratios on enhanced resolution (zoom) scans. Web Documentation for ERPairFinder

This script calculates an entropy and Boltzmann-weighted energy (in kJ/mol) for multi-entries. The user can control the temperatu…

Runs a Bayesian protein inference. Web Documentation for Epifany

Evaluation tool for feature detection algorithms. Web Documentation for FFEval

Detects features in MS1 data based on metabolite identifications. Web Documentation for FeatureFinderMetaboIdent

Compares two files, tolerating numeric differences. Web Documentation for FuzzyDiff

Compute read coverage and C+G content for a genome. Web Documentation for FxBamCoverage