NMRFAM Software & Pulse Program libraries

NMRFAM Pulse Program Libraries

NMRFAM Bruker Pulse Programs

NMRFAM Varian Pulse Programs

NMRFAM Software

Software Overview Chart

Current Software

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.

ADAPT Enhancer – software for visualization and analysis of tilted plane spectra derived from ADAPT-NMR.

HIFI-NMR – adaptive approach for rapid and automated collection of NMR data.

LACS – detection and automated correction of potential referencing problems and detection of inconsistent assignments  - now included in PINE!

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.

NMRbot – high throughput data acquisition for Bruker NMR spectrometers running Topspin >2.0, fitted with ATM and SampleJet hardware accessories.

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.

PINE-Sparky – a Sparky extension for the manual verification of PINE automated assignments. Now included in the NMRFAM Sparky Distribution.

PISTACHIO – making backbone and side chain assignments – now included in PINE!

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.