{ NCS-strict-statement } END
is invoked from the main level of X-PLOR.
NCS-strict-statement:==
INITialize
erases the strict NCS database.
NCSRelations
matrix [TRANslation=vector]
specifies relationships in addition to XNCSrelations,
between the input coordinates and their
equivalents, to specify completely the internal symmetry
for nonbonded interactions. These must be given only after
all XNCSrelations have been given. The matrix gives
the matrix , the vector the
translation vector .
SKEW
matrix [TRANslation=vector]
specifies the relationship between the crystal and skew frames.
The matrix specifies the
matrix , the vector the
translation vector (for the syntax of matrix, see
Section 2.4).
(default: identity for the matrix and no translation, i.e., no skewing).
XNCSrelations
matrix [TRANslation=vector]
specifies the relationships between the input coordinates
and their NCS equivalents. The matrix gives the
the matrix , the vector the
translation vector . (For the syntax of matrix, see
Section 2.4.) The
XNCSrelations are used to generate the crystallographic asymmetric unit
from the protomer. The identity operation is optional.