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MAIN crystallography: from initial phases to the final structure

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MAIN is a computer program dealing with computational aspects of macromolecular crystallography in a progressively automated manner. It is intended for high as well as low throughput crystal structure determination. It is usually run interactively, it can be used in a batch mode too. With MAIN a user can

  • visualize molecular models and electron density maps using a 3D graphics interface,
  • build and rebuilding molecular structures using automated and manual tools,
  • modify electron density maps (solvent flattening and flipping, envelopes manipulation, averaging),
  • refine structures using real and reciprocal space target
  • analyze and validate structural models