Bmolgroup(3)

NAME
Bmolgroup

SYNOPSIS

#include <rwmolecule.h>

  Public Attributes
Bmolgroup * next
Bstring filename
int num
Bstring id
Bstring comment
int spacegroup
Bstring pointgroup
Bstring sgstring
UnitCell unitcell
long maxlen
long maxnalen
Vector3< double > min
Vector3< double > max
Vector3< double > box
Bstring select
int sel
double fom
int * seqflag
Bmolecule * mol
Bbond * bond
Bangle * angle

Detailed Description

Definition at line 170 of file rwmolecule.h.

Member Data Documentation

  Bangle* Bmolgroup::angle

Definition at line 191 of file rwmolecule.h.

  Bbond* Bmolgroup::bond

Definition at line 190 of file rwmolecule.h.

  Vector3<double> Bmolgroup::box

Definition at line 184 of file rwmolecule.h.

  Bstring Bmolgroup::comment

Definition at line 175 of file rwmolecule.h.

  Bstring Bmolgroup::filename

Definition at line 172 of file rwmolecule.h.

  double Bmolgroup::fom

Definition at line 187 of file rwmolecule.h.

  Bstring Bmolgroup::id

Definition at line 174 of file rwmolecule.h.

  Vector3<double> Bmolgroup::max

Definition at line 183 of file rwmolecule.h.

  long Bmolgroup::maxlen

Definition at line 180 of file rwmolecule.h.

  long Bmolgroup::maxnalen

Definition at line 181 of file rwmolecule.h.

  Vector3<double> Bmolgroup::min

Definition at line 182 of file rwmolecule.h.

  Bmolecule* Bmolgroup::mol

Definition at line 189 of file rwmolecule.h.

  Bmolgroup* Bmolgroup::next

Definition at line 171 of file rwmolecule.h.

  int Bmolgroup::num

Definition at line 173 of file rwmolecule.h.

  Bstring Bmolgroup::pointgroup

Definition at line 177 of file rwmolecule.h.

  int Bmolgroup::sel

Definition at line 186 of file rwmolecule.h.

  Bstring Bmolgroup::select

Definition at line 185 of file rwmolecule.h.

  int* Bmolgroup::seqflag

Definition at line 188 of file rwmolecule.h.

  Bstring Bmolgroup::sgstring

Definition at line 178 of file rwmolecule.h.

  int Bmolgroup::spacegroup

Definition at line 176 of file rwmolecule.h.

  UnitCell Bmolgroup::unitcell

Definition at line 179 of file rwmolecule.h.

Author

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