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https://github.com/schrodinger/pymol-open-source.git
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76 lines
1.6 KiB
Plaintext
76 lines
1.6 KiB
Plaintext
{
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s_m_m2io_version
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:::
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2.0.0
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}
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f_m_ct {
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r_pdb_PDB_CRYST1_a
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r_pdb_PDB_CRYST1_b
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r_pdb_PDB_CRYST1_c
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r_pdb_PDB_CRYST1_alpha
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r_pdb_PDB_CRYST1_beta
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r_pdb_PDB_CRYST1_gamma
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s_pdb_PDB_CRYST1_Space_Group
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i_pdb_PDB_CRYST1_z
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i_m_ct_format
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:::
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50.84
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42.77
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28.95
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90
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90
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90
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"P 21 21 21"
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4
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2
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m_atom[9] {
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# First column is atom index #
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i_m_mmod_type
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r_m_x_coord
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r_m_y_coord
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r_m_z_coord
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i_m_residue_number
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s_m_mmod_res
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s_m_chain_name
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i_m_color
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s_m_pdb_residue_name
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s_m_pdb_atom_name
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i_m_atomic_number
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i_m_formal_charge
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s_m_color_rgb
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i_m_secondary_structure
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r_m_pdb_occupancy
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r_m_pdb_tfactor
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i_pdb_PDB_serial
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:::
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1 35 19.810000 29.378000 18.578000 46 A A 38 "ALA " " N " 7 1 2E2EFF 0 1 6.53 1
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2 4 18.443000 29.143000 19.083000 46 A A 24 "ALA " " CA " 6 0 808080 0 1 7.15 2
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3 2 18.453000 28.941000 20.591000 46 A A 24 "ALA " " C " 6 0 808080 0 1 9 3
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4 15 17.860000 27.994000 21.128000 46 A A 70 "ALA " " O " 8 0 FF2E2E 0 1 11.15 4
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5 6 17.864000 27.977000 18.346000 46 A A 24 "ALA " " CB " 6 0 808080 0 1 8.99 5
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6 29 19.172000 29.808000 21.243000 47 G A 38 "GLY " " N " 7 0 2E2EFF 0 1 9.35 6
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7 5 19.399000 29.894000 22.655000 47 G A 24 "GLY " " CA " 6 0 808080 0 1 11.68 7
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8 7 20.083000 28.729000 23.321000 47 G A 24 "GLY " " C " 6 0 808080 0 1 11.14 8
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9 15 19.991000 28.584000 24.561000 47 G A 70 "GLY " " O " 8 0 FF2E2E 0 1 13.93 9
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:::
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}
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m_bond[8] {
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# First column is bond index #
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i_m_from
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i_m_to
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i_m_order
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:::
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1 1 2 1
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2 2 3 1
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3 2 5 1
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4 3 4 2
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5 3 6 1
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6 6 7 1
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7 7 8 1
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8 8 9 2
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:::
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}
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}
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