! Filename = oct_O_refi_dict.txt
! Created by XPLO2D V. 050802/3.3.2 at Sun Mar 2 04:05:41 2008 for A. Nonymous
! Auto-generated by XPLO2D from file oct_msd.pdb
!
!!!!! ADD THIS FILE TO YOUR .bonds_angles DATABLOCK  !!!!!
!!!!! THEN UPDATE THE .bonds_angles DATABLOCK HEADER !!!!!
!
! --------------------------------------------------------
!
residue OCT
!
centre  C1 
!
atom C1 C2 C3 C4 C5 C6 C7 C8
!
fragment_all C1 C2 C3 C4 C5 C6 C7 C8
!
fragment_sc C1 C2 C3 C4 C5 C6 C7 C8
!
side-chain C1 C2 C3 C4 C5 C6 C7 C8
!
! connectivity
!
connect_all C1 C2 C3 C4 C5 C6 C7 C8
!
! torsion-angle definitions
! note: only the first 12 torsions can be used in O
!
!
! bond lengths
!
bond_distance C1 C2 1.529 0.020
bond_distance C2 C3 1.529 0.020
bond_distance C3 C4 1.530 0.020
bond_distance C4 C5 1.528 0.020
bond_distance C5 C6 1.530 0.020
bond_distance C6 C7 1.529 0.020
bond_distance C7 C8 1.529 0.020
!
! bond angles
!
bond_angle C1 C2 C3 109.50 2.00
bond_angle C2 C3 C4 109.52 2.00
bond_angle C3 C4 C5 109.53 2.00
bond_angle C4 C5 C6 109.53 2.00
bond_angle C5 C6 C7 109.52 2.00
bond_angle C6 C7 C8 109.50 2.00
!
! dihedral angles (fixed and flexible)
!
torsion_fixed C1 C2 C3 C4 180.00 2.00
! TRANS torsion - Actual value :  -180.00
torsion_fixed C2 C3 C4 C5 180.00 2.00
! TRANS torsion - Actual value :  -180.00
torsion_fixed C3 C4 C5 C6 180.00 2.00
! TRANS torsion - Actual value :  -180.00
torsion_fixed C4 C5 C6 C7 180.00 2.00
! TRANS torsion - Actual value :  -180.00
torsion_fixed C5 C6 C7 C8 180.00 2.00
! TRANS torsion - Actual value :  -180.00
!