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Comparing Orientations of Molecules
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Comparing Orientations of Molecules
Syntax
ROTMan
{
rotman-statement
} END
is invoked from the main level of X-PLOR.
rotman-statement
:==
COPY
copies a primary matrix into a secondary matrix.
DISTance
computes the metric (Eq.
19.3
) between the primary and the secondary matrix, including crystallographic symmetry images.
INVErse
computes the inverse of the primary matrix and stores it in the matrix.
matrix
enters the primary matrix (see Section
2.4
).
PRODuct
computes the product [primary*secondary] matrix and stores the result in the primary matrix.
SWAP
exchanges primary and secondary matrices.
Xplor-NIH 2013-06-06