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DENOPTIM
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Classes | |
class | ChemicalObjectModel |
Collector of molecular information, related to a single chemical object, that is deployed within the 3D builder. More... | |
class | MMBuilderUtils |
Utilities for molecular models builder. More... | |
class | MultiMolecularModelBuilder |
class | RingClosureTool |
Toolkit to perform ring closing conformational search. More... | |
class | ThreeDimTreeBuilder |
Tool to build build three-dimensional (3D) tree-like molecular structures from DGraph . More... | |
class | ThreeDimTreeBuilderTest |
Unit test for TreeBuilder3D. More... | |