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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
i_m_ct_format
:::
water
2
water.1
2
m_atom[3] {
# 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
i_m_color
s_m_pdb_residue_name
s_m_grow_name
i_m_atomic_number
s_m_color_rgb
s_m_atom_name
i_m_minimize_atom_index
:::
1 16 -1.523268 2.566995 0.086033 1 70 " " " c1" 8 FF2F2F O1 1
2 42 -2.329434 1.994698 -0.064311 1 21 " " " c2" 1 FFFFFF H2 2
3 42 -0.697113 2.013954 -0.021723 1 21 " " " n2" 1 FFFFFF H3 3
:::
}
m_bond[2] {
# 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 1 1
2 1 3 1 1 1
:::
}
m_test_block {
r_test_real
i_test_int
s_test_string
:::
0.5
1
hello
m_test_block {
i_test_i2
:::
11
}
m_test_indexed_block[2] {
i_test_ia
b_test_bb
:::
1 101 1
2 102 0
:::
}
m_test_repeated_block {
i_test_irep
:::
1001
}
m_test_repeated_block {
i_test_irep
:::
1002
}
m_nested_block {
i_test_none
:::
1003
m_test_nested_indexed_block[2] {
s_test_s1
r_test_r2
:::
1 abc 1.5
2 def 0.7
:::
}
}
m_empty_block[0] {
:::
:::
}
}
}
|
