XmlmmCIF equivalent: chem_comp_angle
Data items in the CHEM_COMP_ANGLE category record details about
angles in a chemical component. Angles are designated by three
atoms, with the second atom forming the vertex of the angle.
Target values may be specified as angles in degrees, as a
distance between the first and third atoms, or both.
XmlmmCIF equivalent: chem_comp_angle/value_angle
The value that should be taken as the target value for the angle
associated with the specified atoms, expressed in degrees.
XmlmmCIF equivalent: chem_comp_angle/value_angle_esd
The estimated standard deviation of
_chem_comp_angle.value_angle.
XmlmmCIF equivalent: chem_comp_angle/value_dist
The value that should be taken as the target value for the angle
associated with the specified atoms, expressed as the distance
between the atoms specified by _chem_comp_angle.atom_id_1 and
_chem_comp_angle.atom_id_3.
XmlmmCIF equivalent: chem_comp_angle/value_dist_esd
The estimated standard deviation of
_chem_comp_angle.value_dist_esd.
XmlmmCIF equivalent: chem_comp_angle/comp_id
This data item is a pointer to _chem_comp.id in the CHEM_COMP
category.
XmlmmCIF equivalent: chem_comp_angle/atom_id_1
The id of the first of the three atoms that define the angle.
This data item is a pointer to _chem_comp_atom.atom_id in the
CHEM_COMP_ATOM category.
XmlmmCIF equivalent: chem_comp_angle/atom_id_2
The id of the second of the three atoms that define the angle.
The second atom is taken to be the apex of the angle.
This data item is a pointer to _chem_comp_atom.atom_id in the
CHEM_COMP_ATOM category.
XmlmmCIF equivalent: chem_comp_angle/atom_id_3
The id of the third of the three atoms that define the angle.
This data item is a pointer to _chem_comp_atom.atom_id in the
chem_comp_atom category.