User:Eric Martz/How JSmol works: Difference between revisions
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Such molecular structure data files are called [[atomic coordinate files]]. JSmol is able to read more than 50 formats of such files. The most common are XYZ format for small organic compounds (usually <100 atoms), and [[PDB file|PDB or mmCIF formats]] for macromolecules. | Such molecular structure data files are called [[atomic coordinate files]]. JSmol is able to read more than 50 formats of such files. The most common are XYZ format for small organic compounds (usually <100 atoms), and [[PDB file|PDB or mmCIF formats]] for macromolecules. | ||
Small molecule structures are available from [https://chemapps.stolaf.edu/jmol/docs/#load several large databases]. The international repository of macromolecular structures is the [[Protein Data Bank]]. The most reliable macromolecular structures are determined experimentally by [[X-ray crystallography]], [[Nuclear magnetic resonance]], or cryo-electron microscopy. Macromolecular models determined from [[Theoretical models|theory]] are much less reliable, and are excluded from the [[Protein Data Bank]]. | |||
==Chemical Bonds== | ==Chemical Bonds== | ||