Files
pymol-open-source/testing/data/inscodes.cms
2018-11-05 18:46:32 +01:00

163 lines
3.6 KiB
Plaintext

{ s_m_m2io_version ::: 2.0.0 }
# created with PyMOL 2.3.0a0 #
f_m_ct {
s_m_title
:::
1igy
m_atom[29] {
# 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_insertion_code
s_m_chain_name
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_occupancy
i_pdb_PDB_serial
i_m_visibility
i_m_representation
i_m_ribbon_style
i_m_ribbon_color
s_m_ribbon_color_rgb
s_m_label_format
i_m_label_color
s_m_label_user_text
:::
1 25 -5.305 -36.009 -20.078 51 <> B "ILE " " N " 7 0 3333FF 2 1.00 29
1 0 1 3 <> "" 2 ""
2 3 -4.862 -36.015 -21.463 51 <> B "ILE " " CA " 6 0 00FFFF 2 1.00 30
1 0 1 3 <> "" 2 ""
3 2 -4.309 -37.415 -21.701 51 <> B "ILE " " C " 6 0 00FFFF 2 1.00 31
1 0 1 3 <> "" 2 ""
4 15 -4.693 -38.337 -21.000 51 <> B "ILE " " O " 8 0 FF4C4C 2 1.00 32
1 0 1 3 <> "" 2 ""
5 3 -3.815 -34.880 -21.684 51 <> B "ILE " " CB " 6 0 00FFFF 2 1.00 33
1 0 1 3 <> "" 2 ""
6 3 -3.705 -34.510 -23.167 51 <> B "ILE " " CG1" 6 0 00FFFF 2 1.00 34
1 0 1 3 <> "" 2 ""
7 3 -2.479 -35.241 -21.079 51 <> B "ILE " " CG2" 6 0 00FFFF 2 1.00 35
1 0 1 3 <> "" 2 ""
8 3 -3.400 -32.999 -23.416 51 <> B "ILE " " CD1" 6 0 00FFFF 2 1.00 36
1 0 1 3 <> "" 2 ""
9 25 -3.487 -37.610 -22.718 52 <> B "ASN " " N " 7 0 3333FF 0 1.00 38
1 0 1 3 <> "" 2 ""
10 3 -2.923 -38.940 -22.955 52 <> B "ASN " " CA " 6 0 00FFFF 0 1.00 39
1 0 1 3 <> "" 2 ""
11 2 -1.518 -38.767 -23.550 52 <> B "ASN " " C " 6 0 00FFFF 0 1.00 40
1 0 1 3 <> "" 2 ""
12 15 -1.072 -37.623 -23.713 52 <> B "ASN " " O " 8 0 FF4C4C 0 1.00 41
1 0 1 3 <> "" 2 ""
13 3 -3.823 -39.738 -23.883 52 <> B "ASN " " CB " 6 0 00FFFF 0 1.00 42
1 0 1 3 <> "" 2 ""
14 2 -3.683 -39.305 -25.298 52 <> B "ASN " " CG " 6 0 00FFFF 0 1.00 43
1 0 1 3 <> "" 2 ""
15 25 -3.313 -40.237 -26.169 52 <> B "ASN " " ND2" 7 0 3333FF 0 1.00 44
1 0 1 3 <> "" 2 ""
16 15 -3.846 -38.127 -25.605 52 <> B "ASN " " OD1" 8 0 FF4C4C 0 1.00 45
1 0 1 3 <> "" 2 ""
17 25 -0.811 -39.882 -23.882 52 A B "PRO " " N " 7 0 3333FF 0 1.00 49
1 0 1 3 <> "" 2 ""
18 3 0.530 -39.717 -24.436 52 A B "PRO " " CA " 6 0 00FFFF 0 1.00 50
1 0 1 3 <> "" 2 ""
19 2 0.551 -38.668 -25.518 52 A B "PRO " " C " 6 0 00FFFF 0 1.00 51
1 0 1 3 <> "" 2 ""
20 15 0.751 -37.490 -25.226 52 A B "PRO " " O " 8 0 FF4C4C 0 1.00 52
1 0 1 3 <> "" 2 ""
21 3 0.852 -41.118 -24.971 52 A B "PRO " " CB " 6 0 00FFFF 0 1.00 53
1 0 1 3 <> "" 2 ""
22 3 0.183 -42.000 -24.023 52 A B "PRO " " CG " 6 0 00FFFF 0 1.00 54
1 0 1 3 <> "" 2 ""
23 3 -1.161 -41.317 -23.829 52 A B "PRO " " CD " 6 0 00FFFF 0 1.00 55
1 0 1 3 <> "" 2 ""
24 25 0.238 -39.099 -26.740 53 <> B "SER " " N " 7 0 3333FF 0 1.00 56
1 0 1 3 <> "" 2 ""
25 3 0.210 -38.257 -27.933 53 <> B "SER " " CA " 6 0 00FFFF 0 1.00 57
1 0 1 3 <> "" 2 ""
26 2 -0.527 -36.931 -27.736 53 <> B "SER " " C " 6 0 00FFFF 0 1.00 58
1 0 1 3 <> "" 2 ""
27 15 0.088 -35.868 -27.810 53 <> B "SER " " O " 8 0 FF4C4C 0 1.00 59
1 0 1 3 <> "" 2 ""
28 3 -0.383 -39.058 -29.108 53 <> B "SER " " CB " 6 0 00FFFF 0 1.00 60
1 0 1 3 <> "" 2 ""
29 16 -1.395 -39.963 -28.682 53 <> B "SER " " OG " 8 0 FF4C4C 0 1.00 61
1 0 1 3 <> "" 2 ""
:::
}
m_bond[29] {
# 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 2 3 1
1 1
3 2 5 1
1 1
4 3 4 2
1 1
5 3 9 1
1 1
6 5 6 1
1 1
7 5 7 1
1 1
8 6 8 1
1 1
9 9 10 1
1 1
10 10 11 1
1 1
11 10 13 1
1 1
12 11 12 2
1 1
13 11 17 1
1 1
14 13 14 1
1 1
15 14 15 1
1 1
16 14 16 2
1 1
17 17 18 1
1 1
18 17 23 1
1 1
19 18 19 1
1 1
20 18 21 1
1 1
21 19 20 2
1 1
22 19 24 1
1 1
23 21 22 1
1 1
24 22 23 1
1 1
25 24 25 1
1 1
26 25 26 1
1 1
27 25 28 1
1 1
28 26 27 2
1 1
29 28 29 1
1 1
:::
}
}