NMRFAM Pulse Program Libraries
Software Overview Chart
ADAPT-NMR – ADAPT-NMR (Assignment-directed Data collection Algorithm utilizing a Probabilistic Toolkit in NMR) fully automated method for integration of optimized protein NMR data collection, chemical shift assignment, and secondary structure determination.
HIFI-NMR – adaptive approach for rapid and automated collection of NMR data.
Newton – spectral analysis of multidimensional NMR data useful for complex mixtures. Newton implements a fast maximum likelihood reconstruction (FMLR) of NMR spectra from spectral deconvolution of raw data that constructs the simplest time-domain model whose fourier processed spectrum most closely matches the spectrum of the identically processed FID.
NMRFAM Sparky Distribution - the popular NMR analysis program SPARKY with incorporation of PINE-Sparky, enhancements to import/export to the structural analysis program CYANA, and other useful python extensions. Versions are available for download on Window, Linux, and MacOS platforms.
PECAN - secondary structure predictions – now included in PINE!
PINE – automated backbone and sidechain assignments, detection and correction of referencing and secondary structure determination from input protein sequence and NMR data set peak lists.
PONDEROSA – (Peak picking Of Noe Data Enabled by Restriction of Shift Assignments) a program for protein structure determination that utilizes information from prior assignments to automatically pick NOE peaks from 3D-NOESY (13C-edited and 15N-edited) spectra, with results used as input for a series of CYANA structure calculations.
RNA-PAIRS – (RNA Probabilistic Assignment of Imino Resonance Shifts) automated assignment of RNA imino 1H and 15N resonances shifts, with conjoined determination of secondary structure from input RNA sequence and 1H-1H 2D-NOESY and 1H-15N 2D-HSQC spectra peak lists.
rNMR – an open source software package for visualizing and interpreting one and two dimensional NMR data specifically designed for high-throughput assignment and quantification of small molecules. Supports extensive batch manipulation of plotting parameters and has numerous tools for expediting repetitive resonance assignment and quantification tasks.