3 Matching Annotations
  1. May 2020
    1. ositionalCartesian restraint

      Cartesian restraints are available in Schrodinger MacroModel, how to implement them? some example scripts are included in Additional file 1 of this article

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  2. Apr 2020
    1. theMMFFMolProperties

      assign atom type and charge

    2. MMFFGetMoleculeForceField(),

      this is also an important step

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