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{
s_m_m2io_version
:::
2.0.0
}
f_m_ct {
s_m_title
s_m_entry_id
s_m_entry_name
s_m_Source_Path
s_m_Source_File
i_m_Source_File_Index
i_m_ct_format
:::
foo_e_chg
1
gc.1
/tmp
gc.mae
1
2
m_atom[21] {
# First column is atom index #
i_m_mmod_type
r_m_x_coord
r_m_y_coord
r_m_z_coord
i_m_residue_number
s_m_chain_name
i_m_color
r_m_charge1
s_m_pdb_residue_name
s_m_pdb_atom_name
i_m_atomic_number
i_m_formal_charge
s_m_color_rgb
s_m_atom_name
i_m_secondary_structure
s_m_label_format
i_m_label_color
s_m_label_user_text
r_m_pdb_occupancy
r_m_pdb_tfactor
i_pdb_PDB_serial
:::
1 32 -1.195000 0.201000 -0.206000 1 D 38 0.29000 "GLY " " N " 7 1 3333FF N1 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 0.75 18.5 1
2 3 0.230000 0.318000 -0.502000 1 D 137 -0.01000 "GLY " " CA " 6 0 33FF33 C2 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 0.75 24.17 2
3 2 1.059000 -0.390000 0.542000 1 D 137 0.62000 "GLY " " C " 6 0 33FF33 C3 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 0.75 11.07 3
4 15 0.545000 -0.975000 1.499000 1 D 74 -0.57000 "GLY " " O " 8 0 FF4C4C O4 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 0.75 31.09 4
5 48 -1.720000 0.216000 -1.069000 1 D 104 0.16000 "GLY " " H2 " 1 0 E5E5E5 H5 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 0.75 18.5 12
6 48 -1.369000 -0.668000 0.278000 1 D 104 0.16000 "GLY " " H3 " 1 0 E5E5E5 H6 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 0.75 18.5 13
7 48 -1.483000 0.974000 0.376000 1 D 104 0.16000 "GLY " " H1 " 1 0 E5E5E5 H7 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 0.75 18.5 14
8 48 0.499000 1.374000 -0.501000 1 D 104 0.09000 "GLY " " HA3" 1 0 E5E5E5 H8 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 0.75 24.17 15
9 48 0.430000 -0.125000 -1.478000 1 D 104 0.09000 "GLY " " HA " 1 0 E5E5E5 H9 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 0.75 24.17 16
10 25 2.345000 -0.383000 0.430000 2 D 38 -0.38000 "CYS " " N " 7 0 3333FF N10 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 48.64 5
11 3 3.147000 -1.068000 1.440000 2 D 137 -0.16000 "CYS " " CA " 6 0 33FF33 C11 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 41.94 6
12 2 4.621000 -0.946000 1.133000 2 D 137 0.75000 "CYS " " C " 6 0 33FF33 C12 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 0.21 7
13 15 5.037000 -0.333000 0.139000 2 D 74 -0.80000 "CYS " " O " 8 0 FF4C4C O13 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 3.55 8
14 3 2.682000 -2.534000 1.523000 2 D 137 -0.20000 "CYS " " CB " 6 0 33FF33 C14 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 38.71 9
15 52 3.512000 -3.392000 2.881000 2 D 25 -0.31000 "CYS " " SG " 16 0 E5C53F S15 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 18.13 10
16 18 5.566000 -1.556000 2.016000 2 D 74 -0.80000 "CYS " " OXT" 8 -1 FF4C4C O16 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 0.21 11
17 48 3.002000 -0.602000 2.415000 2 D 104 0.14000 "CYS " " HA " 1 0 E5E5E5 H17 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 41.94 17
18 48 2.933000 -3.034000 0.588000 2 D 104 0.14000 "CYS " " HB2" 1 0 E5E5E5 H18 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 38.71 18
19 48 1.605000 -2.560000 1.688000 2 D 104 0.14000 "CYS " " HB3" 1 0 E5E5E5 H19 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 38.71 19
20 48 3.830000 -4.636000 2.497000 2 D 104 0.21000 "CYS " " HG " 1 0 E5E5E5 H20 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 18.13 20
21 48 2.790000 0.089000 -0.344000 2 D 104 0.27000 "CYS " " H " 1 0 E5E5E5 H21 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 48.64 21
:::
}
m_bond[20] {
# First column is bond index #
i_m_from
i_m_to
i_m_order
i_m_from_rep
i_m_to_rep
:::
1 1 2 1 2 2
2 1 5 1 2 2
3 1 6 1 2 2
4 1 7 1 2 2
5 2 3 1 2 2
6 2 8 1 2 2
7 2 9 1 2 2
8 3 4 2 2 2
9 3 10 1 2 2
10 10 11 1 2 2
11 10 21 1 2 2
12 11 12 1 2 2
13 11 14 1 2 2
14 11 17 1 2 2
15 12 13 2 2 2
16 12 16 1 2 2
17 14 15 1 2 2
18 14 18 1 2 2
19 14 19 1 2 2
20 15 20 1 2 2
:::
}
}
|
