INITIALIZATION

Functions
atype *	ATYPE_init ()
void	initialize_atype (atype *at)
void	initialize_rtype (rtype *rt)
void	initialize_mtype (mtype *mt)
void	initialize_types (types *t)
void	initialize_molindex (molindex *mi)
void	initialize_ensindex (ensindex *ei)
void	initialize_bond (bond *b)
void	initialize_bondset (bondset *bs)
void	initialize_molbond (molbond *mb)
void	initialize_molbondset (molbondset *mbs)
void	initialize_atom (atom *a)
void	initialize_residue (residue *r)
void	initialize_molecule (molecule *m)
void	initialize_dockinfo (dockinfo *di)
void	initialize_assembly (assembly *A)
void	initialize_ensemble (ensemble *E)

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Function Documentation

atype* ATYPE_init

(

)

Definition at line 22 of file ATYPE_init.c.

References atype::m, atype::n, atype::nb, and NUMAT.

void initialize_assembly

(

assembly *

A

)

< changed to new BOX member on 20080813 BLF

Definition at line 227 of file initialize_GLYstruct.c.

References assembly::b, assembly::COM, coord_3D::i, assembly::i, coord_3D::j, coord_3D::k, assembly::m, assembly::mass, assembly::mbs, assembly::nb, assembly::nBOX, assembly::nm, assembly::nmbs, and assembly::nVP.

void initialize_atom

(

atom *

a

)

Definition at line 118 of file initialize_GLYstruct.c.

References atom::b, atom::ch, atom::cID, atom::D, atom::d, atom::E, atom::ensi, coord_3D::i, atom::i, initialize_molindex(), coord_3D::j, coord_3D::k, atom::m, atom::mb, atom::mTi, atom::n, atom::N, atom::nalt, atom::nb, atom::nch, atom::nd, atom::nensi, atom::ni, atom::nmb, atom::nOD, atom::nvec, atom::nVP, atom::nxva, atom::OD, atom::rTi, atom::T, atom::t, atom::typ, atom::v, atom::x, atom::xa, atom::xv, and atom::xva.

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void initialize_atype

(

atype *

at

)

Definition at line 37 of file initialize_GLYstruct.c.

References atype::bo, atype::m, atype::n, atype::nb, and atype::nlp.

void initialize_bond

(

bond *

b

)

Definition at line 88 of file initialize_GLYstruct.c.

References ensindex::a, INDEX_INIT, ensindex::m, bond::o, ensindex::r, bond::s, and bond::t.

void initialize_bondset

(

bondset *

bs

)

Definition at line 99 of file initialize_GLYstruct.c.

References bondset::b, and bondset::n.

void initialize_dockinfo

(

dockinfo *

di

)

Definition at line 219 of file initialize_GLYstruct.c.

void initialize_ensemble

(

ensemble *

E

)

< changed to new BOX member on 20080813 BLF

Definition at line 244 of file initialize_GLYstruct.c.

References ensemble::A, ensemble::COM, coord_3D::i, ensemble::i, coord_3D::j, coord_3D::k, ensemble::m, ensemble::mass, ensemble::nA, ensemble::nBOX, ensemble::nm, and ensemble::nVP.

void initialize_ensindex

(

ensindex *

ei

)

Definition at line 78 of file initialize_GLYstruct.c.

References ensindex::A, ensindex::a, ensindex::E, ensindex::i, INDEX_INIT, ensindex::m, and ensindex::r.

void initialize_molbond

(

molbond *

mb

)

Definition at line 105 of file initialize_GLYstruct.c.

References molindex::a, molindex::i, INDEX_INIT, molindex::m, molbond::o, molindex::r, molbond::s, and molbond::t.

void initialize_molbondset

(

molbondset *

mbs

)

Definition at line 112 of file initialize_GLYstruct.c.

References molbondset::b, and molbondset::n.

void initialize_molecule

(

molecule *

m

)

Definition at line 194 of file initialize_GLYstruct.c.

References molecule::COM, molecule::d, coord_3D::i, molecule::i, coord_3D::j, coord_3D::k, molecule::m, molecule::na, molecule::nBOX, molecule::nd, molecule::noi, molecule::nr, molecule::nrbs, molecule::nrc, molecule::nVP, molecule::oi, molecule::r, molecule::rbs, molecule::rc, and molecule::t.

void initialize_molindex

(

molindex *

mi

)

Definition at line 70 of file initialize_GLYstruct.c.

References molindex::a, molindex::i, INDEX_INIT, molindex::m, and molindex::r.

Referenced by initialize_atom(), and initialize_residue().

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void initialize_mtype

(

mtype *

mt

)

Definition at line 54 of file initialize_GLYstruct.c.

References mtype::c, and mtype::nVP.

void initialize_residue

(

residue *

r

)

Definition at line 158 of file initialize_GLYstruct.c.

References residue::a, residue::altname, residue::aT, residue::bs, residue::cID, residue::COM, residue::D, residue::d, coord_3D::i, residue::i, residue::IC, initialize_molindex(), coord_3D::j, coord_3D::k, residue::m, residue::mTi, residue::n, residue::N, residue::na, residue::nbs, residue::nd, residue::ni, residue::nOD, residue::nrb, residue::nrc, residue::nring, residue::nrp, residue::nVP, residue::OD, residue::rb, residue::rc, residue::rp, residue::T, residue::t, and residue::typ.

Referenced by getAssembly().

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void initialize_rtype

(

rtype *

rt

)

Definition at line 46 of file initialize_GLYstruct.c.

References rtype::ac, rtype::c, rtype::nac, and rtype::nVP.

void initialize_types

(

types *

t

)

Definition at line 60 of file initialize_GLYstruct.c.

References types::a, types::m, types::na, types::nm, types::nr, and types::r.