NPDtools – Natural Product Discovery tools – is a toolkit containing various pipelines for in silico analysis of natural product mass spectrometry data.
The current version of NPDtools includes
- Dereplicator — a tool for identification of peptidic natural products (PNPs) through database search of mass spectra
- VarQuest — a tool for modification-tolerant identification of novel variants of PNPs
- Dereplicator+ — a tool for identification of metabolites (both peptidic and non-peptidic) through database search of mass spectra
- MetaMiner (former RiPPquest, MetaRiPPquest) — a tool implementing metabologenomics approach for the discovery of ribosomally synthesized and post-translationally modified peptides (RiPPs)
- NPS approach for scoring and evaluating the statistical significance of peptidic natural product–spectrum matches (a part of Dereplicator and VarQuest)
NPDtools pipelines are available online on GNPS and also released on GitHub as command-line tools. The latest version of the manual explaining the installation and running of command-line utilities is available online.