Read and write many popular chemical file types for working with the applications you use:
Free Nmr Software
ACD/ChemSketch Documents (.sk2), ChemDoodle Documents (.icl), ChemDoodle 3D Scenes (.ic3), ChemDoodle Javascript Data (.cwc.js), CambridgeSoft ChemDraw Exchange (.cdx), CambridgeSoft ChemDraw XML (.cdxml), Crystallographic Information Format (.cif), CHARMM CARD File (.crd), ChemAxon Marvin Document (.mrv), Chemical Markup Language (.cml), Daylight SMILES (.smi, .smiles), IUPAC InChI (.inchi), IUPAC JCAMP-DX (.jdx, .dx), ISIS Sketch File (.skc), ISIS Sketch Transportable Graphics File (.tgf), MDL MOLFiles, both V2000 and V3000 connection tables (.mol, .mdl), MDL SDFiles (.sdf, .sd), MDL RDFiles (.rdf, .rd), MDL RXNFiles, both V2000 and V3000 connection tables (.rxn), MMI SketchEl Molecule (.el), Molinspiration JME String (.jme), RCSB MacroMolecular Transmission Format (.mmtf), RCSB Protein Data Bank Files (.pdb, .ent), Schrödinger MacroModel (.mmd, .mmod), Schrödinger Maestro (.mae), Standard Molecular Data (.smd), Tripos Mol2 (.mol2, .ml2, .sy2), Tripos Sybyl Line Notation (.sln), Beilstein ROSDAL (.ros), XYZ Files (.xyz)
Topspin Nmr Software
As a software tool for the laboratory network, SampleTrack manages all automation process steps in an analytical environment. The order setup entry can be simultaneously derived from variable sources including spreadsheets, Web client, SampleTrack client, or through an external LIMS system. (BEST NMR) GILSON based sample preparation. Rapid Pulsing: BEST-NMR Implementations Ref: E.Lescop, P.Schanda, B. Brutscher J.Mag.Res 187 (2007) 163-169 bhncogp3d bhncoigp3d bhncagp3d bhncaigp3d bhncacbgp3d bhncacbigp3d bhncocagp3d bhncocacbgp3d Example: 3D BEST-HNCACB.
Nmr software, free download
Accelrys' FELIX - NMR data processing, analysis and assignment program. ACD/Labs’ NMR Prediction Software - ACD/HNMR enables you to calculate the proton NMR spectrum for any organic structure to a high accuracy. Prediction is based on an internal data file with over 1,384,000 experimental chemical shifts and 449,000 coupling constants. NMR DB is a free website that offers a prediction of 1H, 13C, and supposedly even 2D NMR experiments. Structures are entered via a GUI editor. VeSPA and PyGamma are Python packages (or Python wrappers around C libraries) that supposedly simulate NMR spectra of molecules.