Software Registry

4DSPOT

Protein chemical shift prediction, based on molecular descriptors created from empirical data.

ABACUS

Combines assignment of protein NOESY spectra and structure determination.

ADAPT-NMR-ENHANCER

Visualize the tilted 2D plane data from ADAPT-NMR.

ALMOST

All atom molecular simulation toolkit.

AMBERTOOLS

Amber is a set of molecular mechanical force fields and a package of molecular simulation programs.

ARIA

Automates NOE assignment and NMR structure calculation.

ARSHIFT

Structure Based Predictor of Protein Aromatic Side-Chain Proton Chemical Shifts

AUTOASSIGN

Automating the analysis of backbone resonance assignments.

CALRW

Distance-dependent atomic potential for protein structure modeling and structure decoy recognition.

CALRWPLUS

Orientation-dependent atomic potential for protein structure modeling and structure decoy recognition.

CARA

The analysis of NMR spectra and computer aided resonance assignment.

CCPNMR-ANALYSIS

An NMR spectrum visualisation, resonance assignment and data analysis program.

CH3SHIFT

Structure-based prediction of protein methyl group chemical shifts.

CHIMERA

An extensible molecular modelling system.

CNS

Provides a hierarchical approach for the most commonly used algorithms in structure determination.

COMPASS

Experimental protein structure verification by scoring with a single, unassigned NMR spectrum.

CONNJUR

An open-source framework for software and data integration in bio-NMR.

CS-GAMDY

A robust algorithm for refining protein structures with NMR chemical shifts.

CS-ROSETTA

System for chemical shifts based protein structure prediction using ROSETTA.

DLV

A deductive database system, which offers front-ends to several advanced KR formalisms.

FASTMODELFREE

Rapid automated analysis of solution NMR spin-relaxation data.

GARANT

An algorithm for automatic resonance assignment using primary structure and lists of observed cross peaks.

MODELLER

Homology or comparative modeling of protein three-dimensional structures.

NMRFAM-SPARKY

A graphical NMR assignment and integration program for proteins, nucleic acids, and other polymers.

NMRPIPE

Multidimensional spectral processing and analysis of NMR data.

NMRVIEWJ

Visualization and analysis of macromolecular NMR software.

PALES

Prediction of sterically induced alignment in a dilute liquid crystalline phase.

REDCAT

The analysis of residual dipolar couplings (RDCs) for structure validation and elucidation.

REDCRAFT

Tool for determining a protein's structure using residual dipolar couplings (RDCs).

RNMRTK

General-purpose NMR data processing package, including maximum entropy spectral reconstruction.

UNIO

Perform automated NMR data analysis for protein 3D structure determination.

XEASY

Interactive, computer-supported NMR spectrum analysis.