Classes |
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class | BALL::AddHydrogenProcessor |
Saturate atoms with hydrogen atoms.
More... |
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class | BALL::AssignBondOrderProcessor |
Bond Order
assignment processor. More... |
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class | BALL::AtomTyper |
Base class for a programable
Atom typer. More... |
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class | BALL::BindingPocketProcessor |
This processor searches for binding
pockets in a given atom container. More... |
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class | BALL::BuildBondsProcessor |
Bond
creation processor. More... |
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class | BALL::ClearChargeProcessor |
Clears the charge on all atoms.
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class | BALL::ClearRadiusProcessor |
Clears the radius of all atoms.
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class | BALL::AssignRadiusProcessor |
Assigns the radius to each atom.
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class | BALL::AssignChargeProcessor |
Assigns a charge to each atom.
More... |
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class | BALL::FragmentDB |
FragmentDB -
fragment database class. More... |
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class | BALL::TransformationProcessor |
Transformation applicator. More... |
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class | BALL::HBondProcessor |
This processor computes all hydrogen
bonds occuring between amino acids in the composite it is
applied to. More... |
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class | BALL::HybridisationProcessor |
Hybridisation processor. More... |
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class | BALL::Kekuliser |
Class to transform bonds with type
"aromatic" to conjugated single and double bonds. More... |
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class | BALL::NodeItem< Node, Edge > |
The node type in a molecular graph.
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class | BALL::ReconstructFragmentProcessor |
ReconstructFragmentProcessor.
More... |
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class | BALL::ResidueChecker |
Residue Consistency Checker. More... |
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class | BALL::SecondaryStructureProcessor |
Secondary structure extraction from
3D structure. More... |
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class | BALL::UCK |
Unique Chemical Key. More... |