AngleBend |
Angle bending energy term class.
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BondStretch |
Bond stretching energy term class.
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Constants |
The Constants class holds numerical constants that are reused in
multiple classes.
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Csv |
Basic CSV parser.
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Electrostatic |
Nonbonded electrostatic energy term class.
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ForceFieldMMFF94 |
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MMFFExternalPositionConstraint |
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MMFFMolecule |
MMFF molecule is a wrapper class for the ExtendedMolecule.
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MMFFPositionConstraint |
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OutOfPlane |
Out of plane energy term class.
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PeriodicTable |
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Sdf |
The Sdf class provides helper functions for dealing with the SDF file
format.
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Search |
The search class provides binary searching on arrays.
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Separation |
The Separation class is an efficient storage of an adjacency matrix
representing how many degrees of separation there are between any two
atoms.
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SortedPair |
SortedPair class is used in the Separation table.
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StretchBend |
Stretch bending energy term class.
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Tables |
A collection of tables with the official parameters of the
MMFF94/MMFF94s force field variants.
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TorsionAngle |
Torsional Angle energy term class.
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VanDerWaals |
Nonbonded van der Waals energy term class.
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Vector3 |
The Vector3 class provides common vector operations used throughout the
MMFF codebase.
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