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templates.mae
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7385 lines (7302 loc) · 155 KB
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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
s_m_subgroup_title
s_m_subgroupid
b_m_subgroup_collapsed
i_m_ct_format
:::
CRDGEN-172_2D_template
2
templates.1
/Users/nicola/schrodinger/coordgenlibs
templates.mae
1
templates
templates1
0
2
m_atom[36] {
# 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
i_m_atomic_number
s_m_color_rgb
:::
1 2 5.433100 -5.999800 0.000000 9 2 6 A0A0A0
2 7 4.195900 -5.285600 0.000000 9 2 6 A0A0A0
3 7 4.195900 -3.857000 0.000000 9 2 6 A0A0A0
4 2 5.433100 -3.142700 0.000000 9 2 6 A0A0A0
5 7 6.670300 -3.857000 0.000000 9 2 6 A0A0A0
6 7 6.670300 -5.285600 0.000000 9 2 6 A0A0A0
7 7 3.208400 -6.993000 0.000000 9 2 6 A0A0A0
8 7 1.970400 -7.705800 0.000000 9 2 6 A0A0A0
9 2 1.968600 -9.134300 0.000000 9 2 6 A0A0A0
10 7 3.205000 -9.850100 0.000000 9 2 6 A0A0A0
11 7 4.443000 -9.137300 0.000000 9 2 6 A0A0A0
12 2 4.444700 -7.708700 0.000000 9 2 6 A0A0A0
13 7 -0.007200 -7.705600 0.000000 9 2 6 A0A0A0
14 7 -1.245100 -6.992600 0.000000 9 2 6 A0A0A0
15 2 -2.481500 -7.708100 0.000000 9 2 6 A0A0A0
16 7 -2.480000 -9.136700 0.000000 9 2 6 A0A0A0
17 7 -1.242100 -9.849700 0.000000 9 2 6 A0A0A0
18 2 -0.005700 -9.134100 0.000000 9 2 6 A0A0A0
19 2 -3.469800 -5.999100 0.000000 9 2 6 A0A0A0
20 7 -2.232600 -5.284900 0.000000 9 2 6 A0A0A0
21 7 -2.232500 -3.856300 0.000000 9 2 6 A0A0A0
22 2 -3.469700 -3.142000 0.000000 9 2 6 A0A0A0
23 7 -4.706900 -3.856200 0.000000 9 2 6 A0A0A0
24 7 -4.706900 -5.284800 0.000000 9 2 6 A0A0A0
25 7 -2.479600 -0.004500 0.000000 9 2 6 A0A0A0
26 2 -2.481300 -1.433100 0.000000 9 2 6 A0A0A0
27 7 -1.244900 -2.148800 0.000000 9 2 6 A0A0A0
28 7 -0.006900 -1.436000 0.000000 9 2 6 A0A0A0
29 2 -0.005200 -0.007400 0.000000 9 2 6 A0A0A0
30 7 -1.241600 0.708300 0.000000 9 2 6 A0A0A0
31 7 3.208400 -2.149200 0.000000 9 2 6 A0A0A0
32 7 1.970500 -1.436200 0.000000 9 2 6 A0A0A0
33 2 1.969100 -0.007600 0.000000 9 2 6 A0A0A0
34 7 3.205500 0.707900 0.000000 9 2 6 A0A0A0
35 7 4.443400 -0.005100 0.000000 9 2 6 A0A0A0
36 2 4.444900 -1.433700 0.000000 9 2 6 A0A0A0
:::
}
m_bond[42] {
# First column is bond index #
i_m_from
i_m_to
i_m_order
:::
1 1 2 1
2 1 6 2
3 1 12 1
4 2 3 2
5 3 4 1
6 4 5 2
7 4 36 1
8 5 6 1
9 7 8 1
10 7 12 2
11 8 9 2
12 9 10 1
13 9 18 1
14 10 11 2
15 11 12 1
16 13 14 1
17 13 18 2
18 14 15 2
19 15 16 1
20 15 19 1
21 16 17 2
22 17 18 1
23 19 20 1
24 19 24 2
25 20 21 2
26 21 22 1
27 22 23 2
28 22 26 1
29 23 24 1
30 25 26 1
31 25 30 2
32 26 27 2
33 27 28 1
34 28 29 2
35 29 30 1
36 29 33 1
37 31 32 1
38 31 36 2
39 32 33 2
40 33 34 1
41 34 35 2
42 35 36 1
:::
}
}
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
s_m_subgroup_title
s_m_subgroupid
b_m_subgroup_collapsed
i_m_ct_format
:::
CRDGEN-118_template
3
templates.2
/Users/nicola/schrodinger/coordgenlibs
templates.mae
2
templates
templates1
0
2
m_atom[20] {
# 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
i_m_atomic_number
s_m_color_rgb
s_m_atom_name
:::
1 2 -6.178200 2.189800 0.000000 9 2 6 A0A0A0 C1
2 7 -6.772600 1.617700 0.000000 9 2 6 A0A0A0 C2
3 7 -6.574500 0.816900 0.000000 9 2 6 A0A0A0 C3
4 7 -5.781800 0.588100 0.000000 9 2 6 A0A0A0 C4
5 2 -5.187400 1.160100 0.000000 9 2 6 A0A0A0 C5
6 2 -5.385500 1.960900 0.000000 9 2 6 A0A0A0 C6
7 29 -6.205500 3.014300 0.000000 9 43 7 5757FF N7
8 5 -5.429700 3.295100 0.000000 9 2 6 A0A0A0 C8
9 4 -4.791000 2.533000 0.000000 9 2 6 A0A0A0 C9
10 7 -3.880500 2.628300 0.000000 9 2 6 A0A0A0 C10
11 29 -4.247400 0.695600 0.000000 9 43 7 5757FF N11
12 5 -3.813500 -0.134700 0.000000 9 2 6 A0A0A0 C12
13 5 -2.696800 -0.068900 0.000000 9 2 6 A0A0A0 C14
14 7 -3.113100 2.296900 0.000000 9 2 6 A0A0A0 C15
15 7 -2.899600 1.500000 0.000000 9 2 6 A0A0A0 C16
16 7 -2.102700 1.286500 0.000000 9 2 6 A0A0A0 C17
17 7 -1.889200 0.489600 0.000000 9 2 6 A0A0A0 C18
18 7 -1.092300 0.276100 0.000000 9 2 6 A0A0A0 C19
19 5 -1.400400 -0.510900 0.000000 9 2 6 A0A0A0 C20
20 5 0.103700 0.542600 0.000000 9 2 6 A0A0A0 C21
:::
}
m_bond[22] {
# First column is bond index #
i_m_from
i_m_to
i_m_order
:::
1 1 2 2
2 1 6 1
3 1 7 1
4 2 3 1
5 3 4 2
6 4 5 1
7 5 6 2
8 5 11 1
9 6 9 1
10 7 8 1
11 8 9 1
12 9 10 1
13 10 14 2
14 11 12 1
15 12 13 1
16 13 19 1
17 14 15 1
18 15 16 2
19 16 17 1
20 17 18 2
21 18 20 1
22 19 20 1
:::
}
}
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
s_m_subgroup_title
s_m_subgroupid
b_m_subgroup_collapsed
i_m_ct_format
:::
"template 2"
4
templates.3
/Users/nicola/schrodinger/coordgenlibs
templates.mae
3
templates
templates1
0
2
m_atom[23] {
# 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
i_m_atomic_number
s_m_color_rgb
:::
1 5 -0.561400 2.224200 0.000000 9 2 6 A0A0A0
2 5 -0.561400 1.399200 0.000000 9 2 6 A0A0A0
3 5 0.153000 0.986700 0.000000 9 2 6 A0A0A0
4 5 0.867500 1.399200 0.000000 9 2 6 A0A0A0
5 4 0.867500 2.224200 0.000000 9 2 6 A0A0A0
6 5 0.153000 2.636700 0.000000 9 2 6 A0A0A0
7 5 0.153000 3.461700 0.000000 9 2 6 A0A0A0
8 5 0.867500 3.874200 0.000000 9 2 6 A0A0A0
9 5 1.582000 2.636700 0.000000 9 2 6 A0A0A0
10 4 1.582000 3.461700 0.000000 9 2 6 A0A0A0
11 5 2.296400 3.874200 0.000000 9 2 6 A0A0A0
12 5 2.296400 4.699200 0.000000 9 2 6 A0A0A0
13 5 1.582000 5.111700 0.000000 9 2 6 A0A0A0
14 5 0.867500 4.699200 0.000000 9 2 6 A0A0A0
15 5 0.153000 5.111700 0.000000 9 2 6 A0A0A0
16 5 -0.561400 4.699200 0.000000 9 2 6 A0A0A0
17 5 -0.561400 3.874200 0.000000 9 2 6 A0A0A0
18 4 -1.275900 3.461700 0.000000 9 2 6 A0A0A0
19 4 -1.275900 2.636700 0.000000 9 2 6 A0A0A0
20 5 -1.990400 3.874200 0.000000 9 2 6 A0A0A0
21 5 -2.704900 3.461700 0.000000 9 2 6 A0A0A0
22 5 -2.704900 2.636700 0.000000 9 2 6 A0A0A0
23 5 -1.990400 2.224200 0.000000 9 2 6 A0A0A0
:::
}
m_bond[25] {
# First column is bond index #
i_m_from
i_m_to
i_m_order
:::
1 1 2 1
2 1 19 1
3 2 3 1
4 3 4 1
5 4 5 1
6 5 6 1
7 5 9 1
8 6 7 1
9 7 8 1
10 8 10 1
11 9 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 18 20 1
22 19 23 1
23 20 21 1
24 21 22 1
25 22 23 1
:::
}
}
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
s_m_subgroup_title
s_m_subgroupid
b_m_subgroup_collapsed
i_m_ct_format
:::
"template 3"
5
templates.4
/Users/nicola/schrodinger/coordgenlibs
templates.mae
4
templates
templates1
0
2
m_atom[25] {
# 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
i_m_atomic_number
s_m_color_rgb
:::
1 5 -1.663800 -1.746700 0.000000 9 2 6 A0A0A0
2 5 -1.663800 -2.571700 0.000000 9 2 6 A0A0A0
3 5 -0.838800 -2.571700 0.000000 9 2 6 A0A0A0
4 5 -0.426300 -3.286200 0.000000 9 2 6 A0A0A0
5 4 0.398700 -3.286200 0.000000 9 2 6 A0A0A0
6 5 0.769000 -4.023400 0.000000 9 2 6 A0A0A0
7 5 1.592000 -4.080900 0.000000 9 2 6 A0A0A0
8 5 2.061300 -3.402400 0.000000 9 2 6 A0A0A0
9 5 0.811200 -2.571700 0.000000 9 2 6 A0A0A0
10 4 1.717100 -2.652600 0.000000 9 2 6 A0A0A0
11 5 2.129600 -1.938100 0.000000 9 2 6 A0A0A0
12 5 1.717100 -1.223700 0.000000 9 2 6 A0A0A0
13 5 0.892100 -1.223700 0.000000 9 2 6 A0A0A0
14 5 0.479600 -0.509200 0.000000 9 2 6 A0A0A0
15 5 -0.234900 -0.096700 0.000000 9 2 6 A0A0A0
16 5 -0.234900 0.728300 0.000000 9 2 6 A0A0A0
17 5 -0.949400 1.140800 0.000000 9 2 6 A0A0A0
18 5 -1.663800 0.728300 0.000000 9 2 6 A0A0A0
19 5 -1.663800 -0.096700 0.000000 9 2 6 A0A0A0
20 4 -2.378300 -0.509200 0.000000 9 2 6 A0A0A0
21 4 -2.378300 -1.334200 0.000000 9 2 6 A0A0A0
22 5 -3.092800 -0.096700 0.000000 9 2 6 A0A0A0
23 5 -3.807200 -0.509200 0.000000 9 2 6 A0A0A0
24 5 -3.807200 -1.334200 0.000000 9 2 6 A0A0A0
25 5 -3.092800 -1.746700 0.000000 9 2 6 A0A0A0
:::
}
m_bond[27] {
# First column is bond index #
i_m_from
i_m_to
i_m_order
:::
1 1 2 1
2 1 21 1
3 2 3 1
4 3 4 1
5 4 5 1
6 5 6 1
7 5 9 1
8 6 7 1
9 7 8 1
10 8 10 1
11 9 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 20 22 1
24 21 25 1
25 22 23 1
26 23 24 1
27 24 25 1
:::
}
}
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
s_m_subgroup_title
s_m_subgroupid
b_m_subgroup_collapsed
i_m_ct_format
:::
"template 4"
6
templates.5
/Users/nicola/schrodinger/coordgenlibs
templates.mae
5
templates
templates1
0
2
m_atom[27] {
# 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
i_m_atomic_number
s_m_color_rgb
:::
1 5 0.071600 -7.562500 0.000000 9 2 6 A0A0A0
2 5 0.071600 -8.387500 0.000000 9 2 6 A0A0A0
3 5 0.786100 -8.800000 0.000000 9 2 6 A0A0A0
4 5 1.500500 -8.387500 0.000000 9 2 6 A0A0A0
5 4 2.215000 -8.800000 0.000000 9 2 6 A0A0A0
6 5 2.215000 -9.625000 0.000000 9 2 6 A0A0A0
7 5 2.929500 -10.037500 0.000000 9 2 6 A0A0A0
8 5 3.643900 -9.625000 0.000000 9 2 6 A0A0A0
9 5 2.929500 -8.387500 0.000000 9 2 6 A0A0A0
10 4 3.643900 -8.800000 0.000000 9 2 6 A0A0A0
11 5 4.358400 -8.387500 0.000000 9 2 6 A0A0A0
12 5 4.358400 -7.562500 0.000000 9 2 6 A0A0A0
13 5 3.643900 -7.150000 0.000000 9 2 6 A0A0A0
14 5 3.643900 -6.325000 0.000000 9 2 6 A0A0A0
15 5 2.929500 -5.912500 0.000000 9 2 6 A0A0A0
16 5 2.929500 -5.087500 0.000000 9 2 6 A0A0A0
17 5 2.215000 -4.675000 0.000000 9 2 6 A0A0A0
18 7 1.500500 -5.087500 0.000000 9 2 6 A0A0A0
19 7 1.500500 -5.912500 0.000000 9 2 6 A0A0A0
20 5 0.786100 -6.325000 0.000000 9 2 6 A0A0A0
21 5 0.071600 -5.912500 0.000000 9 2 6 A0A0A0
22 4 -0.642900 -6.325000 0.000000 9 2 6 A0A0A0
23 4 -0.642900 -7.150000 0.000000 9 2 6 A0A0A0
24 5 -1.357400 -5.912500 0.000000 9 2 6 A0A0A0
25 5 -2.071800 -6.325000 0.000000 9 2 6 A0A0A0
26 5 -2.071800 -7.150000 0.000000 9 2 6 A0A0A0
27 5 -1.357400 -7.562500 0.000000 9 2 6 A0A0A0
:::
}
m_bond[29] {
# First column is bond index #
i_m_from
i_m_to
i_m_order
:::
1 1 2 1
2 1 23 1
3 2 3 1
4 3 4 1
5 4 5 1
6 5 6 1
7 5 9 1
8 6 7 1
9 7 8 1
10 8 10 1
11 9 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 22 24 1
26 23 27 1
27 24 25 1
28 25 26 1
29 26 27 1
:::
}
}
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
s_m_subgroup_title
s_m_subgroupid
b_m_subgroup_collapsed
i_m_ct_format
:::
"template 5"
7
templates.6
/Users/nicola/schrodinger/coordgenlibs
templates.mae
6
templates
templates1
0
2
m_atom[24] {
# 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
i_m_atomic_number
s_m_color_rgb
:::
1 5 -2.159300 7.906800 0.000000 9 2 6 A0A0A0
2 5 -1.746800 7.192300 0.000000 9 2 6 A0A0A0
3 5 -0.921800 7.192300 0.000000 9 2 6 A0A0A0
4 5 -0.509300 6.477800 0.000000 9 2 6 A0A0A0
5 4 0.315700 6.477800 0.000000 9 2 6 A0A0A0
6 5 0.728200 5.763300 0.000000 9 2 6 A0A0A0
7 5 1.553200 5.763300 0.000000 9 2 6 A0A0A0
8 5 1.965700 6.477800 0.000000 9 2 6 A0A0A0
9 5 0.728200 7.192300 0.000000 9 2 6 A0A0A0
10 4 1.553200 7.192300 0.000000 9 2 6 A0A0A0
11 5 1.965700 7.906800 0.000000 9 2 6 A0A0A0
12 5 1.553200 8.608600 0.000000 9 2 6 A0A0A0
13 5 0.728200 8.608600 0.000000 9 2 6 A0A0A0
14 5 0.315700 9.323100 0.000000 9 2 6 A0A0A0
15 5 -0.509300 9.323100 0.000000 9 2 6 A0A0A0
16 5 -0.921800 10.037500 0.000000 9 2 6 A0A0A0
17 5 -1.746800 10.037500 0.000000 9 2 6 A0A0A0
18 5 -2.159300 9.323100 0.000000 9 2 6 A0A0A0
19 4 -2.929500 9.027400 0.000000 9 2 6 A0A0A0
20 4 -2.929500 8.202400 0.000000 9 2 6 A0A0A0
21 5 -3.643900 9.439900 0.000000 9 2 6 A0A0A0
22 5 -4.358400 9.027400 0.000000 9 2 6 A0A0A0
23 5 -4.358400 8.202400 0.000000 9 2 6 A0A0A0
24 5 -3.643900 7.789900 0.000000 9 2 6 A0A0A0
:::
}
m_bond[26] {
# First column is bond index #
i_m_from
i_m_to
i_m_order
:::
1 1 2 1
2 1 20 1
3 2 3 1
4 3 4 1
5 4 5 1
6 5 6 1
7 5 9 1
8 6 7 1
9 7 8 1
10 8 10 1
11 9 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 19 21 1
23 20 24 1
24 21 22 1
25 22 23 1
26 23 24 1
:::
}
}
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
s_m_subgroup_title
s_m_subgroupid
b_m_subgroup_collapsed
i_m_ct_format
:::
"template 6"
8
templates.7
/Users/nicola/schrodinger/coordgenlibs
templates.mae
7
templates
templates1
0
2
m_atom[27] {
# 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
i_m_atomic_number
s_m_color_rgb
:::
1 5 -0.714500 1.031200 0.000000 9 2 6 A0A0A0
2 5 -0.714500 0.206200 0.000000 9 2 6 A0A0A0
3 5 -1.428900 -0.206300 0.000000 9 2 6 A0A0A0
4 5 -1.428900 -1.031300 0.000000 9 2 6 A0A0A0
5 4 -0.714500 -1.443800 0.000000 9 2 6 A0A0A0
6 5 -0.714500 -2.268800 0.000000 9 2 6 A0A0A0
7 5 -0.000000 -2.681200 0.000000 9 2 6 A0A0A0
8 5 0.714500 -2.268800 0.000000 9 2 6 A0A0A0
9 5 0.000000 -1.031300 0.000000 9 2 6 A0A0A0
10 4 0.714500 -1.443800 0.000000 9 2 6 A0A0A0
11 5 1.428900 -1.031300 0.000000 9 2 6 A0A0A0
12 5 2.143400 -1.443800 0.000000 9 2 6 A0A0A0
13 5 2.857900 -1.031300 0.000000 9 2 6 A0A0A0
14 5 2.857900 -0.206300 0.000000 9 2 6 A0A0A0
15 5 2.143400 0.206200 0.000000 9 2 6 A0A0A0
16 5 2.143400 1.031200 0.000000 9 2 6 A0A0A0
17 5 1.428900 1.443700 0.000000 9 2 6 A0A0A0
18 5 1.428900 2.268700 0.000000 9 2 6 A0A0A0
19 5 0.714500 2.681200 0.000000 9 2 6 A0A0A0
20 5 0.000000 2.268700 0.000000 9 2 6 A0A0A0
21 5 -0.714500 2.681200 0.000000 9 2 6 A0A0A0
22 4 -1.428900 2.268700 0.000000 9 2 6 A0A0A0
23 4 -1.428900 1.443700 0.000000 9 2 6 A0A0A0
24 5 -2.143400 2.681200 0.000000 9 2 6 A0A0A0
25 5 -2.857900 2.268700 0.000000 9 2 6 A0A0A0
26 5 -2.857900 1.443700 0.000000 9 2 6 A0A0A0
27 5 -2.143400 1.031200 0.000000 9 2 6 A0A0A0
:::
}
m_bond[29] {
# First column is bond index #
i_m_from
i_m_to
i_m_order
:::
1 1 2 1
2 1 23 1
3 2 3 1
4 3 4 1
5 4 5 1
6 5 6 1
7 5 9 1
8 6 7 1
9 7 8 1
10 8 10 1
11 9 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 22 24 1
26 23 27 1
27 24 25 1
28 25 26 1
29 26 27 1
:::
}
}
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
s_m_subgroup_title
s_m_subgroupid
b_m_subgroup_collapsed
i_m_ct_format
:::
"template 7"
9
templates.8
/Users/nicola/schrodinger/coordgenlibs
templates.mae
8
templates
templates1
0
2
m_atom[26] {
# 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
i_m_atomic_number
s_m_color_rgb
:::
1 5 -1.428900 -0.591400 0.000000 9 2 6 A0A0A0
2 5 -0.714400 -0.178900 0.000000 9 2 6 A0A0A0
3 5 -0.000000 -0.591400 0.000000 9 2 6 A0A0A0
4 5 0.714400 -0.178900 0.000000 9 2 6 A0A0A0
5 4 1.428900 -0.591400 0.000000 9 2 6 A0A0A0
6 5 1.428900 -1.416400 0.000000 9 2 6 A0A0A0
7 5 2.143300 -1.828800 0.000000 9 2 6 A0A0A0
8 5 2.857800 -1.416400 0.000000 9 2 6 A0A0A0
9 5 2.143300 -0.178900 0.000000 9 2 6 A0A0A0
10 4 2.857800 -0.591400 0.000000 9 2 6 A0A0A0
11 5 3.572300 -0.178900 0.000000 9 2 6 A0A0A0
12 5 3.572300 0.646100 0.000000 9 2 6 A0A0A0
13 5 2.845200 1.058600 0.000000 9 2 6 A0A0A0
14 5 2.549500 1.828800 0.000000 9 2 6 A0A0A0
15 5 1.724500 1.828800 0.000000 9 2 6 A0A0A0
16 5 1.428900 1.058600 0.000000 9 2 6 A0A0A0
17 5 0.714400 0.646100 0.000000 9 2 6 A0A0A0
18 5 -0.000000 1.058600 0.000000 9 2 6 A0A0A0
19 5 -0.714400 0.646100 0.000000 9 2 6 A0A0A0
20 5 -1.428900 1.058600 0.000000 9 2 6 A0A0A0
21 4 -2.143400 0.646100 0.000000 9 2 6 A0A0A0
22 4 -2.143400 -0.178900 0.000000 9 2 6 A0A0A0
23 5 -2.857800 1.058600 0.000000 9 2 6 A0A0A0
24 5 -3.572300 0.646100 0.000000 9 2 6 A0A0A0
25 5 -3.572300 -0.178900 0.000000 9 2 6 A0A0A0
26 5 -2.857800 -0.591400 0.000000 9 2 6 A0A0A0
:::
}
m_bond[28] {
# First column is bond index #
i_m_from
i_m_to
i_m_order
:::
1 1 2 1
2 1 22 1
3 2 3 1
4 3 4 1
5 4 5 1
6 5 6 1
7 5 9 1
8 6 7 1
9 7 8 1
10 8 10 1
11 9 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 21 23 1
25 22 26 1
26 23 24 1
27 24 25 1
28 25 26 1
:::
}
}
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
s_m_subgroup_title
s_m_subgroupid
b_m_subgroup_collapsed
i_m_ct_format
:::
"template 8"
10
templates.9
/Users/nicola/schrodinger/coordgenlibs
templates.mae
9
templates
templates1
0
2
m_atom[34] {
# 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
i_m_atomic_number
i_m_formal_charge
s_m_color_rgb
:::
1 7 -0.749600 -1.308200 0.000000 9 2 6 0 A0A0A0
2 7 -1.464000 -1.720700 0.000000 9 2 6 0 A0A0A0
3 7 -2.178500 -1.308200 0.000000 9 2 6 0 A0A0A0
4 2 -2.178500 -0.483200 0.000000 9 2 6 0 A0A0A0
5 7 -2.893000 -0.070700 0.000000 9 2 6 0 A0A0A0
6 7 -2.893000 0.754300 0.000000 9 2 6 0 A0A0A0
7 7 -2.178500 1.166800 0.000000 9 2 6 0 A0A0A0
8 2 -1.464000 0.754300 0.000000 9 2 6 0 A0A0A0
9 18 -0.648200 0.876700 0.000000 9 70 8 -1 FF2F2F
10 2 -1.464000 -0.070700 0.000000 9 2 6 0 A0A0A0
11 31 -0.749600 -0.483200 0.000000 9 43 7 1 5757FF
12 163 0.587100 0.100900 0.000000 9 4 13 3 1E1EE1
13 31 0.749600 1.550400 0.000000 9 43 7 1 5757FF
14 2 1.464000 1.962900 0.000000 9 2 6 0 A0A0A0
15 2 1.464000 2.787900 0.000000 9 2 6 0 A0A0A0
16 7 0.749600 3.200400 0.000000 9 2 6 0 A0A0A0
17 7 0.035100 2.787900 0.000000 9 2 6 0 A0A0A0
18 7 0.035100 1.962900 0.000000 9 2 6 0 A0A0A0
19 7 2.178500 3.200400 0.000000 9 2 6 0 A0A0A0
20 7 2.893000 2.787900 0.000000 9 2 6 0 A0A0A0
21 7 2.893000 1.962900 0.000000 9 2 6 0 A0A0A0
22 2 2.178500 1.550400 0.000000 9 2 6 0 A0A0A0
23 18 1.876500 0.782700 0.000000 9 70 8 -1 FF2F2F
24 31 0.532800 -1.356800 0.000000 9 43 7 1 5757FF
25 2 1.178200 -1.870700 0.000000 9 2 6 0 A0A0A0
26 2 1.945900 -1.568700 0.000000 9 2 6 0 A0A0A0
27 18 1.761200 -0.764600 0.000000 9 70 8 -1 FF2F2F
28 7 2.591300 -2.082600 0.000000 9 2 6 0 A0A0A0
29 7 2.468900 -2.898500 0.000000 9 2 6 0 A0A0A0
30 7 1.701200 -3.200400 0.000000 9 2 6 0 A0A0A0
31 2 1.055800 -2.686500 0.000000 9 2 6 0 A0A0A0
32 7 0.288100 -2.988500 0.000000 9 2 6 0 A0A0A0
33 7 -0.357300 -2.474600 0.000000 9 2 6 0 A0A0A0
34 7 -0.235000 -1.658700 0.000000 9 2 6 0 A0A0A0
:::
}
m_bond[42] {
# First column is bond index #
i_m_from
i_m_to
i_m_order
:::
1 1 2 2
2 1 11 1
3 2 3 1
4 3 4 2
5 4 5 1
6 4 10 1
7 5 6 2
8 6 7 1
9 7 8 2
10 8 9 1
11 8 10 1
12 9 12 1
13 10 11 2
14 11 12 1
15 12 13 1
16 12 23 1
17 12 24 1
18 12 27 1
19 13 14 2
20 13 18 1
21 14 15 1
22 14 22 1
23 15 16 2
24 15 19 1
25 16 17 1
26 17 18 2
27 19 20 2
28 20 21 1
29 21 22 2
30 22 23 1
31 24 25 2
32 24 34 1
33 25 26 1
34 25 31 1
35 26 27 1
36 26 28 2
37 28 29 1
38 29 30 2
39 30 31 1
40 31 32 2
41 32 33 1
42 33 34 2
:::
}
}
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
s_m_subgroup_title
s_m_subgroupid
b_m_subgroup_collapsed
i_m_ct_format
:::
"template 9"
11
templates.10
/Users/nicola/schrodinger/coordgenlibs
templates.mae
10
templates
templates1
0
2
m_atom[22] {
# 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
i_m_atomic_number
s_m_color_rgb
s_m_atom_name
:::
1 7 0.159300 3.056900 0.000000 9 2 6 A0A0A0 C1
2 7 0.859700 2.621000 0.000000 9 2 6 A0A0A0 C2
3 2 0.859700 1.796000 0.000000 9 2 6 A0A0A0 C3
4 7 -0.581000 2.692600 0.000000 9 2 6 A0A0A0 C4
5 2 -0.662800 1.871700 0.000000 9 2 6 A0A0A0 C5
6 7 0.082700 1.518500 0.000000 9 2 6 A0A0A0 C6
7 5 -1.341500 1.402600 0.000000 9 2 6 A0A0A0 C7
8 5 -1.274600 0.580400 0.000000 9 2 6 A0A0A0 C8
9 27 -1.809300 -0.048800 0.000000 9 43 7 5757FF N9
10 5 -1.531900 -0.825800 0.000000 9 2 6 A0A0A0 C10
11 5 -0.720300 -0.973900 0.000000 9 2 6 A0A0A0 C11
12 2 -0.251200 -1.652600 0.000000 9 2 6 A0A0A0 C12
13 7 0.559600 -1.500100 0.000000 9 2 6 A0A0A0 C13
14 2 1.097000 -2.126000 0.000000 9 2 6 A0A0A0 C14
15 7 0.823700 -2.904400 0.000000 9 2 6 A0A0A0 C15
16 7 0.012900 -3.056900 0.000000 9 2 6 A0A0A0 C16
17 7 -0.524500 -2.431000 0.000000 9 2 6 A0A0A0 C17
18 5 1.775700 -1.656900 0.000000 9 2 6 A0A0A0 C18
19 5 1.380100 -0.933000 0.000000 9 2 6 A0A0A0 C19
20 5 1.809300 -0.228400 0.000000 9 2 6 A0A0A0 C20
21 5 1.340200 0.450300 0.000000 9 2 6 A0A0A0 C21
22 5 1.488400 1.261900 0.000000 9 2 6 A0A0A0 C22
:::
}
m_bond[24] {
# First column is bond index #
i_m_from
i_m_to
i_m_order
:::
1 1 2 2
2 1 4 1
3 2 3 1
4 3 6 2
5 3 22 1
6 4 5 2
7 5 6 1
8 5 7 1
9 7 8 1
10 8 9 1
11 9 10 1