Convert to Table Deprecated

Takes a generic R port as input and converts it into a data table. This requires the content of the genericR port to be a R data-frame. Other […]

SDF SSH 

run SSH with stdin and out

QCImporter 

Imports tables with quality control parameters into qcml files.

MapAlignerTreeGuided 

Tree guided correction of retention time distortions between maps.

IDMerger 

Merges several protein/peptide identification files into one file.

MapAlignerPoseClustering 

Corrects retention time distortions between maps using a pose clustering approach.

RDKit Canon SMILES Streamable

Generates RDKit canonical SMILES for an input RDKit Mol column.