XmlmmCIF equivalent: chem_comp_tor_value
Data items in the CHEM_COMP_TOR_VALUE category record details
about the target values for the torsion angles enumerated in the
CHEM_COMP_TOR list. Target values may be specified as angles
in degrees, as a distance between the first and fourth atoms, or
both.
XmlmmCIF equivalent: chem_comp_tor_value/angle
A value that should be taken as a potential target value for the
torsion angle associated with the specified atoms, expressed in
degrees.
XmlmmCIF equivalent: chem_comp_tor_value/angle_esd
The estimated standard deviation of _chem_comp_tor_value.angle.
XmlmmCIF equivalent: chem_comp_tor_value/dist
A value that should be taken as a potential target value for the
torsion angle associated with the specified atoms, expressed as
the distance between the atoms specified by
_chem_comp_tor.atom_id_1 and _chem_comp_tor.atom_id_4 in the
referenced record in the CHEM_COMP_TOR list. Note that the
torsion angle cannot be fully specified by a distance (for
instance, a torsion angle of -60 will yield the same distance as
a 60 degree angle). However the distance specification can be
useful for refinement in situations in which the angle is already
close to the desired value.
XmlmmCIF equivalent: chem_comp_tor_value/dist_esd
The estimated standard deviation of
_chem_comp_tor_value.dist_esd.
XmlmmCIF equivalent: chem_comp_tor_value/tor_id
This data item is a pointer to _chem_comp_tor.id in the
CHEM_COMP_TOR category.
XmlmmCIF equivalent: chem_comp_tor_value/comp_id
This data item is a pointer to _chem_comp_atom.comp_id in the
CHEM_COMP_ATOM category.