VinaLC: Parallel Molecular Docking Program |
Biochemical and Biophysical Systems Group |
#include <tree.h>
Public Member Functions | |
template<typename C > | |
void | set_conf (const atomv &atoms, vecv &coords, const std::vector< C > &c) |
szv | count_torsions () const |
template<typename C > | |
void | derivative (const vecv &coords, const vecv &forces, std::vector< C > &c) const |
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inline |
Referenced by model::set(), model::sete(), and model::seti().
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inline |
Referenced by vector_mutable< ligand >::count_torsions(), and model::get_size().
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inline |