The Spectral Game Practice interpreting spectra (HNMR, CNMR, IR, NIR, etc) with this fun online game. And then to have the whole compound, to describe the whole compound, you put this in parentheses, so this is the systematic naming. Molecular Biology Workbench comprehensive library of online bioinformatics tools at San Diego Super Computer CenterĬalculator of Peptide properties ChemistryĬhemSpider Chemical data prediction tools & online database of >20 million molecules and Open Spectral Data PDB file repair tool PDB files analyzed, ligands found, chains fixed, missing atoms cared Other related programs other related programs Some compounds have been known for so long that a systematic. VADAR comprehensive geometrical analysis of protein structures But we still need unique names that unambiguously identify each compound. RefDB The Re-referenced Protein Chemical shift Database(RefDB) is a database of carefully corrected or re-referenced chemical shifts, derived from the BioMagRes Bank SHIFTY predict chemical shifts using only amino acid sequence predicts both the backbone and side chain A program that determines multiplet patterns in 1D NMR spectra. The cation has the same name as its element. The Stock Method of Naming An ionic compound is named first by its cation and then by its anion. PINE Server (at NMRFAM, automated backbone and sidechain assignments for proteins and more)įAFOMA fully automatic multiplet analysis. Its systematic name is copper (II) chloride, where coppers oxidation number is indicated in parentheses. NMR calculator pulses, power levels, delays, temperatureĪCD/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. Nmr frequency map & calculator by Alex JerschowĬhemical shift referencing calculator by Jeet Chugh Online tools, no software installation necessary.
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