sec_struct.hh File Reference

#include <vector>
#include <ost/base.hh>
#include <ost/geom/geom.hh>
#include <ost/message.hh>
#include <ost/mol/mol.hh>

Go to the source code of this file.

Namespaces
	ost
	ost::mol
	ost::mol::alg

Functions
Real	DSSPHBondEnergy (const geom::Vec3 &h_pos, const geom::Vec3 &n_pos, const geom::Vec3 &c_pos, const geom::Vec3 &o_pos)
String	RawEstimateSS (const std::vector< geom::Vec3 > &ca_positions, int start_idx, int size, const std::vector< int > &donor_for_one, const std::vector< int > &donor_for_two, const std::vector< int > &connected_to_next)
void	PrepareSSData (const ost::mol::ResidueViewList &res_list, std::vector< int > &res_indices, std::vector< geom::Vec3 > &ca_positions, std::vector< int > &donor_for_one, std::vector< int > &donor_for_two, std::vector< int > &connected_to_next)
void	AssignSecStruct (ost::mol::EntityView &ent)
void	AssignSecStruct (ost::mol::EntityHandle &ent)