XmlmmCIF equivalent: geom_torsion
Data items in the GEOM_TORSION category record details about
molecular and crystal torsion angles, as calculated from the
contents of the ATOM, CELL, and SYMMETRY data.
The vector direction _geom_torsion.atom_site_id_2 to
_geom_torsion.atom_site_id_3 is the viewing direction, and the
torsion angle is the angle of twist required to superimpose the
projection of the vector site2-site1 onto the projection of the
vector site3-site4. Clockwise torsions are positive,
anticlockwise torsions are negative.
Ref: Klyne, W. & Prelog, V. (1960). Experientia, 16, 521-523.
XmlmmCIF equivalent: geom_torsion/atom_site_auth_asym_id_1
An optional identifier of the first of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.auth_asym_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_auth_asym_id_2
An optional identifier of the second of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.auth_asym_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_auth_asym_id_3
An optional identifier of the third of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.auth_asym_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_auth_asym_id_4
An optional identifier of the fourth of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.auth_asym_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_auth_atom_id_1
An optional identifier of the first of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.auth_atom_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_auth_atom_id_2
An optional identifier of the second of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.auth_atom_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_auth_atom_id_3
An optional identifier of the third of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.auth_atom_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_auth_atom_id_4
An optional identifier of the fourth of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.auth_atom_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_auth_comp_id_1
An optional identifier of the first of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.auth_comp_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_auth_comp_id_2
An optional identifier of the second of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.auth_comp_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_auth_comp_id_3
An optional identifier of the third of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.auth_comp_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_auth_comp_id_4
An optional identifier of the fourth of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.auth_comp_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_auth_seq_id_1
An optional identifier of the first of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.auth_seq_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_auth_seq_id_2
An optional identifier of the second of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.auth_seq_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_auth_seq_id_3
An optional identifier of the third of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.auth_seq_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_auth_seq_id_4
An optional identifier of the fourth of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.auth_seq_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_label_alt_id_1
An optional identifier of the first of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.label_alt_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_label_alt_id_2
An optional identifier of the second of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.label_alt_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_label_alt_id_3
An optional identifier of the third of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.label_alt_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_label_alt_id_4
An optional identifier of the fourth of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.label_alt_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_label_asym_id_1
An optional identifier of the first of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.label_asym_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_label_asym_id_2
An optional identifier of the second of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.label_asym_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_label_asym_id_3
An optional identifier of the third of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.label_asym_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_label_asym_id_4
An optional identifier of the fourth of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.label_asym_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_label_atom_id_1
An optional identifier of the first of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.label_atom_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_label_atom_id_2
An optional identifier of the second of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.label_atom_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_label_atom_id_3
An optional identifier of the third of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.label_atom_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_label_atom_id_4
An optional identifier of the fourth of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.label_atom_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_label_comp_id_1
An optional identifier of the first of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.label_comp_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_label_comp_id_2
An optional identifier of the second of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.label_comp_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_label_comp_id_3
An optional identifier of the third of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.label_comp_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_label_comp_id_4
An optional identifier of the fourth of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.label_comp_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_label_seq_id_1
An optional identifier of the first of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.label_seq_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_label_seq_id_2
An optional identifier of the second of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.label_seq_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_label_seq_id_3
An optional identifier of the third of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.label_seq_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/atom_site_label_seq_id_4
An optional identifier of the fourth of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.label_seq_id in the
ATOM_SITE category.
XmlmmCIF equivalent: geom_torsion/pdbx_PDB_model_num
Pointer to _atom_site.pdbx_PDB_model_num
XmlmmCIF equivalent: geom_torsion/pdbx_atom_site_PDB_ins_code_1
Pointer to _atom_site.pdbx_PDB_ins_code.
XmlmmCIF equivalent: geom_torsion/pdbx_atom_site_PDB_ins_code_2
Pointer to _atom_site.pdbx_PDB_ins_code.
XmlmmCIF equivalent: geom_torsion/pdbx_atom_site_PDB_ins_code_3
Pointer to _atom_site.pdbx_PDB_ins_code.
XmlmmCIF equivalent: geom_torsion/pdbx_atom_site_PDB_ins_code_4
Pointer to _atom_site.pdbx_PDB_ins_code.
XmlmmCIF equivalent: geom_torsion/publ_flag
This code signals if the torsion angle is referred to in a
publication or should be placed in a table of significant
torsion angles.
XmlmmCIF equivalent: geom_torsion/value
The value of the torsion angle in degrees.
XmlmmCIF equivalent: geom_torsion/value_esd
The estimated standard deviation of _geom_torsion.value.
XmlmmCIF equivalent: geom_torsion/atom_site_id_1
The identifier of the first of the four atom sites that define
the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.id in the ATOM_SITE
category.
XmlmmCIF equivalent: geom_torsion/atom_site_id_2
The identifier of the second of the four atom sites that define
the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.id in the ATOM_SITE
category.
XmlmmCIF equivalent: geom_torsion/atom_site_id_3
The identifier of the third of the four atom sites that define
the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.id in the ATOM_SITE
category.
XmlmmCIF equivalent: geom_torsion/atom_site_id_4
The identifier of the fourth of the four atom sites that define
the torsion angle specified by _geom_torsion.value.
This data item is a pointer to _atom_site.id in the ATOM_SITE
category.
XmlmmCIF equivalent: geom_torsion/site_symmetry_1
The symmetry code of the first of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
XmlmmCIF equivalent: geom_torsion/site_symmetry_2
The symmetry code of the second of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
XmlmmCIF equivalent: geom_torsion/site_symmetry_3
The symmetry code of the third of the four atom sites that
define the torsion angle specified by _geom_torsion.value.
XmlmmCIF equivalent: geom_torsion/site_symmetry_4
The symmetry code of the fourth of the four atom sites that
define the torsion angle specified by _geom_torsion.value.