CROT (X/Y/Z)
CROTX will produce a stick model rotating about the horizontal X-axis. CROTYM gives
a model rotation about y, anti-clockwise). Bonds may be colored as a functions of the
atomtypes at their end-points with the COLOR sub-keyword.
Example: CROTX COLOR
VIEW MIN
This produces a minimum overlap view. The view is perpendicular to the least-squares
plane through the included atom set as generated for the current molecule list. A VIEW
MIN instruction is executed automatically with a PLOT instruction when no previous
VIEW instruction was given.
Example: VIEW MIN XR 45
VIEW UNIT
This produces a view with XO along XP (horizontal) and YO along YP (vertical),
possibly modified with a sequence of rotations. A given orientation may be
reconstructed, independent from its history, using the three rotation values that are
shown in the lower right corner (xr), the upper left corner (yr) and the lower left corner
(zr) with the instruction:
VIEW UNIT XROT xr YROT yr ZROT zr VIEW is equivalent to VIEW UNIT.
VIEW CURRENT
This instruction updates the current view matrix. VIEW rotations is equivalent with VIEW CURRENT rotations.
VIEW
View along one of the orthogonal axes towards the origin.
VIEW AFACE/BFACE/CFACE
For a view along the line from the point (1.0, 0.5, 0.5), (0.5, 1.0, 0.5) or (0.5, 0.5, 1.0) towards the origin (crystal coordinates).
VIEW ALIGN
This causes an automatic ZROT sufficient to bring the projection of the line between
the two atoms parallel to the plotting XP (YP) axis. A warning message is issued when
the two atoms are superimposed in the current view, so that this instruction is not
uniquely defined.
Example: VIEW ALIGN C1 C2 WITH YP
VIEW DIRECTION
This defines a view along the line from the point (x,y,z) towards the origin (crystal coordinates). This may be useful for views down the crystal axes for non-orthogonal crystal systems.
VIEW LINE
The direction of view is from the first atom to the second.
VIEW BISECT
The view is into the angle n1-n2-n3 with n2 deepest in the plot.
VIEW PERP
The view is perpendicular to the plane containing the three atoms, seen from the side which makes a clockwise order of the atoms in the plot n1-n2-n3.
VIEW INVERT
An inverted image with respect to the current image is obtained with this instruction.
VIEW MATRIX
This option allows direct input of the view rotation matrix (by row), if it has been
previously calculated by another program. An error message will be produced by a
matrix for which the determinant is not within reasonable rounding errors of +/-1.
rotations:
(XROT xr)(YROT yr)(ZROT zr)(LROT lr x y z) (OROT or x y z)(PROT pr x y z) (BROT atom_name1 atom_name2 br)
VIEW MIN VIEW YO VIEW AFACE ZROT 15 VIEW DIRECTION 0.25 0.25 1 VIEW LINE PT1 BR1 VIEW BISECT C1 C2 C3 VIEW PERP N1 CU1 N2 VIEW LINE C1 C2 ZROT 90 YROT -30 VIEW CURRENT BROT C1 C2 -45