Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
Classes
Molecular_covalent_structure
Reference Manuals
Classes
class
T_Molecular_covalent_structure< Particle_info_ >
Representation of the covalent structure of a molecular conformation.
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class
T_Molecular_covalent_structure_builder_for_protein_martini< Molecular_covalent_structure_ >
Builds a covalent structure from a given model.
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class
T_Molecular_covalent_structure_builder_for_proteins< Molecular_covalent_structure_ >
Builds a covalent structure from a given model.
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class
T_Molecular_covalent_structure_constraints_for_proteins< CovalentStructure, Conformation >
Returns true iff the input conformation respects the input constraints.
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class
T_Molecular_covalent_structure_optimal< ParticleInfo >
Optimized representation of the covalent structure of a molecular conformation.
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class
T_Particle_info_for_proteins< Particle_traits_ >
Information on the particle to attach to the vertices of the covalent structure when using it with force fields.
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class
T_Particle_info_traits< ParticleInfo >
Concept for manipulating particle info attached to a covalent structure.
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class
T_Molecular_covalent_structure_loader< Molecular_covalent_structure_builder_ >
Loader for covalent structures from PDB / mmCIF files.
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class
T_Molecular_covalent_structure_loader_from_MOL< MolecularCovalentStructure >
Loader for covalent structures from MOL files.
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class
T_Molecular_covalent_structure_loader_from_PDB< ParticleTraits, MolecularCovalentStructure, MolecularCovalentStructureBuilder, PDBLineFormat >
Loader for covalent structures from PDB files using ESBTL.
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