Online data tools
From NMR Wiki
Online tools, no software installation necessary.
NMR
nmr frequency map & calculator by Alex Jerschow
chemical shift referencing calculator by Jeet Chugh
Karplus equation calculator
Karplus equation according to Haasnoot et al.
Karplus equations for a variety of 3J coupling paths.
NMR calculator pulses, power levels, delays, temperature
ACD/Labs Online (I-Lab) ACD/Labs Online (I-Lab) provides a variety of free and pay-per-use services, including: NMR spectrum prediction, Systematic name generation, Physicochemical property prediction, Online database searches by structure and substructure.
Bio NMR
PINE Server (at NMRFAM, automated backbone and sidechain assignments for proteins and more)
Organic chemistry
FAFOMA fully automatic multiplet analysis. A program that determines multiplet patterns in 1D NMR spectra.
Wishart's team
shiftx structure to chemical shift
shiftcor chemical shift re-referencing
DynaMR Backbone dynamics
RCI Random coil index
VADAR server comprehensive geometrical analysis of protein structures
Structural biology
Protein Structure Validation Suite
AutoDep PDB structure submission tool
iCing Structure Validation by CING
PDB file repair tool PDB files analyzed, ligands found, chains fixed, missing atoms cared
Biochemistry
Buffer recipe calculator
Molecular Biology Workbench comprehensive library of online bioinformatics tools at San Diego Super Computer Center
Calculator of Peptide properties
Chemistry
ChemSpider Chemical data prediction tools & online database of >20 million molecules and Open Spectral Data
The Spectral Game Practice interpreting spectra (HNMR, CNMR, IR, NIR, etc) with this fun online game.
Math
zunzun - may be all you need to fit curves to your data
Statistics applet at University of Baltimore