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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_file
i_m_source_file_index
i_m_ct_format
:::
x
2
x.1
/tmp/x.pdb
1
2
m_atom[4] {
# 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_mmod_res
i_m_color
s_m_pdb_residue_name
s_m_pdb_atom_name
i_m_atomic_number
i_m_formal_charge
s_m_color_rgb
i_m_secondary_structure
r_m_pdb_tfactor
r_m_pdb_occupancy
i_pdb_PDB_serial
:::
1 35 -1.195000 0.201000 -0.206000 22 G 38 "GLY " " N " 7 1 2F2FFF 0 -1 1 1
2 5 0.230000 0.318000 -0.502000 22 G 2 "GLY " " CA " 6 0 A0A0A0 0 -1.0 1 2
3 7 1.059000 -0.390000 0.542000 22 G 2 "GLY " " C " 6 0 A0A0A0 0 -2.3 1 3
4 15 0.545000 -0.975000 1.499000 22 G 75 "GLY " " O " 8 0 FF5757 0 2.86 1 4
:::
}
m_bond[3] {
# First column is bond index #
i_m_from
i_m_to
i_m_order
:::
1 1 2 1
2 2 3 1
3 3 4 2
:::
}
}
|
