# FEASST particle file (https://doi.org/10.18434/M3S095)
#  7 bead coarse-grained mAb model
#
#This set of coordinates (below) correspond to the bead positions based on the other crystal structure (pdb ID: 1IGT).
#
# x [nm]  y [nm]  z [nm]  sigma [nm]
# Hinge   0.00000000  0.00000000  0.00000000  1.52
# H1  0.38370924  -0.27543393   -2.93884982   5.3283
# H2  1.88944709  -2.28230144   -4.78259695   4.5405
# V1.1  -0.20018689   -6.22249817   4.10258205  4.6319
# V2.1  -1.13469610   -3.19449097   2.39971875  4.4130
# V1.2  -4.13100713   4.62278921  -1.22550756   4.6319
# V2.2  -2.75015812   1.97783376  0.47737548  4.4130
#
#Hinge -> 0
#H1 -> 1
#H2 -> 2
#V1.1 -> 6
#V2.1 -> 5
#V1.2 -> 4
#V2.2 -> 3
#
#             2
#             |
#             1
#             |
#             0
#           /   \
#         3       5
#       /           \
#     4               6
#

7 sites
6 bonds
6 angles

7 site types
6 bond types
6 angle types

Site Properties

0 epsilon 1 sigma 1.5200 cutoff 1.5200
1 epsilon 1 sigma 5.3283 cutoff 5.3283
2 epsilon 1 sigma 4.5405 cutoff 4.5405
3 epsilon 1 sigma 4.4130 cutoff 4.4130
4 epsilon 1 sigma 4.6319 cutoff 4.6319
5 epsilon 1 sigma 4.4130 cutoff 4.4130
6 epsilon 1 sigma 4.6319 cutoff 4.6319

Sites

0 0 0 0 0 0 0 0
1 1  2.314176 -1.490841 -1.132219
2 2  4.73485  -3.050289 -2.316544
3 3 -2.823455 -1.754021 -0.809072
4 4 -5.658858 -3.515464 -1.621568
5 5 -0.646072  0.323239  4.090118
6 6 -1.205667  0.603212  7.632765

Bond Properties

0 RigidBond length 3.113545752835420000 delta 0.0001
1 RigidBond length 3.435453968374820000 delta 0.0001
2 RigidBond length 3.597482242529290000 delta 0.0001
3 RigidBond length 6.090110029845180000 delta 0.0001
4 RigidBond length 6.856430936450300000 delta 0.0001
5 RigidBond length 7.750909487091100000 delta 0.0001

Bonds

0 0 2 1
1 1 3 4
2 2 5 6
3 3 2 0
4 4 0 4
5 5 0 6

Angle Properties

0 RigidAngle degrees 0.0 delta 0.01
1 RigidAngle degrees 0.0 delta 0.01
2 RigidAngle degrees 0.0 delta 0.01
3 RigidAngle degrees 107.151912989435000000 delta 0.01
4 RigidAngle degrees 122.309691348660000000 delta 0.01
5 RigidAngle degrees  98.303611187738500000 delta 0.01

Angles

0 0 0 2 1
1 1 0 4 3
2 2 0 6 5
3 3 2 0 4
4 4 2 0 6
5 5 4 0 6

