VinaLC: Parallel Molecular Docking Program |
Biochemical and Biophysical Systems Group |
#include <tree.h>
Public Member Functions | |
heterotree (const Node &node_) | |
void | set_conf (const atomv &atoms, vecv &coords, const ligand_conf &c) |
void | set_conf (const atomv &atoms, vecv &coords, const residue_conf &c) |
void | derivative (const vecv &coords, const vecv &forces, ligand_change &c) const |
void | derivative (const vecv &coords, const vecv &forces, residue_change &c) const |
Public Attributes | |
Node | node |
branches | children |
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inline |
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inline |
References branches_set_conf(), heterotree< Node >::children, heterotree< Node >::node, ligand_conf::rigid, and ligand_conf::torsions.
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inline |
References branches_set_conf(), heterotree< Node >::children, heterotree< Node >::node, and residue_conf::torsions.
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inline |
References branches_derivative(), heterotree< Node >::children, heterotree< Node >::node, ligand_change::rigid, and ligand_change::torsions.
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inline |
References branches_derivative(), heterotree< Node >::children, heterotree< Node >::node, and residue_change::torsions.
Node heterotree< Node >::node |
Referenced by heterotree< Node >::derivative(), and heterotree< Node >::set_conf().
branches heterotree< Node >::children |
Referenced by heterotree< Node >::derivative(), and heterotree< Node >::set_conf().