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Pdheckrxn-asymNu.mae
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Pdheckrxn-asymNu.mae
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{
s_m_m2io_version
:::
2.0.0
}
f_m_ct {
s_m_title
s_m_entry_name
b_m_subgroup_collapsed
b_cs_first_match_only
b_cs_both_enantiomers
:::
Pdheckrxn
Pdheckrxn
0
1
1
m_atom[8] {
# First column is atom index #
i_m_mmod_type
r_m_x_coord
r_m_y_coord
r_m_z_coord
s_m_mmod_res
i_m_color
r_m_charge1
r_m_charge2
s_m_pdb_residue_name
i_m_atomic_number
i_m_formal_charge
s_m_color_rgb
s_m_atom_name
s_m_label_format
i_m_label_color
s_m_label_user_text
b_cs_chig
b_cs_comp
b_q_use_charge
:::
1 201 -0.212790 0.686731 0.237837 " " 20 -0.21182 -0.21182 " " 46 1 9F5F9F 1 %TY 1 "" 0 1 1
2 2 -2.284244 0.473141 -0.174457 " " 2 -0.02553 -0.02553 " " 6 0 A0A0A0 C2 %TY 1 "" 0 1 1
3 2 -2.404915 1.844107 0.192410 " " 2 -0.09652 -0.09652 " " 6 0 A0A0A0 C3 %TY 1 "" 0 1 1
4 2 -0.505247 2.886714 0.363269 " " 2 0.38950 0.38950 " " 6 0 A0A0A0 C4 %TY 1 "" 0 1 1
5 25 2.076210 0.608758 0.554809 " " 43 -0.23855 -0.23855 " " 7 0 5757FF N5 %TY 1 "" 0 1 1
6 25 0.286643 -1.529115 0.026236 " " 43 -0.21702 -0.21702 " " 7 0 5757FF N6 %TY 1 "" 0 1 1
7 64 -3.036222 2.164863 1.524475 " " 2 0.12501 0.12501 " " 6 0 A0A0A0 C7 %TY 1 "" 0 1 <>
8 2 -0.340484 3.683403 -0.781656 " " 2 0.00000 0.00000 " " 6 0 A0A0A0 C54 %TY 1 "" 0 1 <>
:::
}
m_bond[16] {
# First column is bond index #
i_m_from
i_m_to
i_m_order
r_cs_torc_a5
r_cs_torc_a6
r_cs_torc_b5
r_cs_torc_b6
i_cs_rca4_1
i_cs_rca4_2
i_cs_torc_a1
i_cs_torc_a4
i_cs_torc_b1
i_cs_torc_b4
b_cs_tors
:::
1 1 6 0 0 0 0 0 0 0 0 0 0 0 0
2 1 5 0 0 0 0 0 0 0 0 0 0 0 0
3 1 4 1 0 0 0 0 0 0 0 0 0 0 1
4 1 2 0 0 0 0 0 0 0 0 0 0 0 1
5 2 1 0 0 0 0 0 0 0 0 0 0 0 1
6 2 3 2 0 0 0 0 0 0 0 0 0 0 0
7 3 2 2 0 0 0 0 0 0 0 0 0 0 0
8 3 4 0 0 0 0 0 2 1 0 0 0 0 0
9 3 7 1 0 0 0 0 0 0 0 0 0 0 0
10 4 1 1 0 0 0 0 0 0 0 0 0 0 1
11 4 3 0 0 0 0 0 2 1 0 0 0 0 0
12 4 8 2 0 0 0 0 0 0 0 0 0 0 0
13 5 1 0 0 0 0 0 0 0 0 0 0 0 0
14 6 1 0 0 0 0 0 0 0 0 0 0 0 0
15 7 3 1 0 0 0 0 0 0 0 0 0 0 0
16 8 4 2 0 0 0 0 0 0 0 0 0 0 0
:::
}
}