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126 lines
2.2 KiB
Plaintext
126 lines
2.2 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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s_m_title
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i_m_ct_format
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:::
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"methane1"
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2
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m_atom[5] {
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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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i_m_color
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s_m_pdb_residue_name
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s_m_grow_name
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i_m_atomic_number
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:::
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1 3 -0.128665 0.614765 0.000000 1 2 " " " c1" 6
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2 41 -0.774660 1.260760 0.645995 1 21 " " " c2" 1
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3 41 -0.774660 -0.031230 -0.645995 1 21 " " " n2" 1
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4 41 0.517330 1.260760 -0.645995 1 21 " " " " 1
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5 41 0.517330 -0.031230 0.645995 1 21 " " " " 1
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:::
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}
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m_bond[4] {
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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 1 3 1
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3 1 4 1
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4 1 5 1
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:::
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}
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}
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f_m_ct {
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s_m_title
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i_m_ct_format
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this_property_name_is_+_than_invalid
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:::
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"methane with bad prop"
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2
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"this is the property with an invalid name"
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m_atom[5] {
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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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i_m_color
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s_m_pdb_residue_name
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s_m_grow_name
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i_m_atomic_number
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:::
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1 3 -0.128665 0.614765 0.000000 1 2 " " " c1" 6
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2 41 -0.774660 1.260760 0.645995 1 21 " " " c2" 1
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3 41 -0.774660 -0.031230 -0.645995 1 21 " " " n2" 1
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4 41 0.517330 1.260760 -0.645995 1 21 " " " " 1
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5 41 0.517330 -0.031230 0.645995 1 21 " " " " 1
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:::
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}
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m_bond[4] {
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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 1 3 1
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3 1 4 1
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4 1 5 1
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:::
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}
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}
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f_m_ct {
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s_m_title
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i_m_ct_format
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:::
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"methane3"
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2
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m_atom[5] {
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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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i_m_color
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s_m_pdb_residue_name
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s_m_grow_name
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i_m_atomic_number
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:::
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1 3 -0.128665 0.614765 0.000000 1 2 " " " c1" 6
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2 41 -0.774660 1.260760 0.645995 1 21 " " " c2" 1
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3 41 -0.774660 -0.031230 -0.645995 1 21 " " " n2" 1
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4 41 0.517330 1.260760 -0.645995 1 21 " " " " 1
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5 41 0.517330 -0.031230 0.645995 1 21 " " " " 1
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:::
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}
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m_bond[4] {
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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 1 3 1
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3 1 4 1
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4 1 5 1
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:::
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}
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}
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