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Cheminformatics labs

BMSTU IU9 5th degree, 2nd term. Professor: Dubanov Alexander Vyacheslavovich

Parts:

  • Intro to haskell language. Simple lab to dive into language. Consists of 4 less parts (DONE)
  • Reading/writing *.mol2 files (DONE)
  • Simple ascetic visualisation of molecules. Inputs are given from mol2 molecules bases. Use previous lab for reading files (DONE CPK+/BONDS+)
  • Superimposition of structures/molecules by RMSD(root mean square distance).
  • Structure fitting. The area is been available for solvent. The system ligand - target
  • Genom sequences alignment (DONE)

/just to test formatting/ This will be Italic This will be Bold Add a indent and this will end up as code

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bmstu iu9-81 cheminformatics labs on haskell

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