PROPKA 3
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PROPKA 3
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  • Overview: module code

All modules for which code is available

  • propka.atom
  • propka.bonds
  • propka.calculations
  • propka.conformation_container
  • propka.coupled_groups
  • propka.determinant
  • propka.determinants
  • propka.energy
  • propka.group
  • propka.hybrid36
  • propka.hydrogens
  • propka.input
  • propka.iterative
  • propka.lib
  • propka.ligand
  • propka.ligand_pka_values
  • propka.molecular_container
  • propka.output
  • propka.parameters
  • propka.protonate
  • propka.run
  • propka.vector_algebra
  • propka.version

© Copyright 2022, Jan H. Jensen, Chresten R. Søndergaard, Mats H. M. Olsson, Michał Rostkowski, Nathan A. Baker, Matvey Adzhigirey, Oliver Beckstein, Jimmy Charnley Kromann, Mike Beachy, Toni G, Thomas Holder, Irfan Alibay.

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