| Bsoft 2.0.5 Bernard's software package

mol_alpha.h
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1
9 #include "rwmolecule.h"
10
11 // Function prototypes
12 Bmolgroup* molgroup_generate_alpha_helix(int length);
13 Bmolecule* mol_generate_alpha_helix(int length);
14 int molgroup_set_alpha_helix(Bmolgroup* molgroup, int helix_start, int helix_end);
15 int molgroup_find_helical_axes(Bmolgroup* molgroup);
16 Vector3<double> alpha_find_center(Bresidue* resfirst, Bresidue* reslast);
17 Vector3<double> alpha_find_orientation(Bresidue* resfirst, Bresidue* reslast);
18 Vector3<double> mol_find_alpha_orientation(Bmolecule* mol, int set_std);
19 Vector3<double> point_on_helix_axis(Vector3<double> ca1, Vector3<double> ca2, Vector3<double> ca3);
20 Bmolgroup* molgroup_consolidate_alpha(Bmolgroup* molgroup);
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molgroup_consolidate_alpha
Bmolgroup * molgroup_consolidate_alpha(Bmolgroup *molgroup)
Cluster a set of alpha helices to consolidate helices.
Definition: mol_alpha.cpp:382
molgroup_generate_alpha_helix
Bmolgroup * molgroup_generate_alpha_helix(int length)
Generates an alpha helix of the desired length.
Definition: mol_alpha.cpp:54
rwmolecule.h
Header file for reading reflection files.
Bmolgroup
Definition: rwmolecule.h:170
alpha_find_center
Vector3< double > alpha_find_center(Bresidue *resfirst, Bresidue *reslast)
Calculates the center of an alpha helix.
Definition: mol_alpha.cpp:179
length
double length(vector< T > v)
Definition: Vector3.h:528
point_on_helix_axis
Vector3< double > point_on_helix_axis(Vector3< double > ca1, Vector3< double > ca2, Vector3< double > ca3)
Calculates a point on an alpha helix corresponding to a Ca atom.
Definition: mol_alpha.cpp:349
Bmolecule
Definition: rwmolecule.h:107
Bresidue
Definition: rwmolecule.h:49
molgroup_find_helical_axes
int molgroup_find_helical_axes(Bmolgroup *molgroup)
Calculates the centers and orientations of all alpha helices.
Definition: mol_alpha.cpp:147
mol_find_alpha_orientation
Vector3< double > mol_find_alpha_orientation(Bmolecule *mol, int set_std)
Calculates the orientation of an alpha helix.
Definition: mol_alpha.cpp:249
Vector3< double >
alpha_find_orientation
Vector3< double > alpha_find_orientation(Bresidue *resfirst, Bresidue *reslast)
Calculates the orientation of an alpha helix.
Definition: mol_alpha.cpp:208
mol_generate_alpha_helix
Bmolecule * mol_generate_alpha_helix(int length)
Generates an alpha helix of the desired length.
Definition: mol_alpha.cpp:68
molgroup_set_alpha_helix
int molgroup_set_alpha_helix(Bmolgroup *molgroup, int helix_start, int helix_end)
Sets a residue range to an alpha helix in all molecules.
Definition: mol_alpha.cpp:117