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Set
Syntax: set <parameter> {<option>}
The RasMol set command allows the user to alter various internal program
parameters such as those controlling rendering options. Each parameter has its own set of
permissible parameter options. Typically, omiting the parameter option resets that
parameter to its default value. A list of valid parameter names is given below.
Show
Syntax: show information
show sequence
show symmetry
The RasMol show command display details of the status of the currently
loaded molecule. The command show information lists the molecule's name,
classification, PDB code and the number of atoms, chains, groups it
contains. If hydrogen bonding, disulfide bridges or secondary structure have been
determined, the number of hbonds, ssbonds, helices, ladders and turns are also displayed
respectively. The command show sequence lists the residues that comprise
each chain of the molecule. The command show symmetry lists the spacegroup
and unit cell parameters.
Slab
Syntax: slab {<boolean>}
slab
<value>
The RasMol slab command enables, disables or positions the z-clipping
plane of the molecule. The program only draws those portions of the molecule that
are further from the viewer than the slabbing plane. Values range from zero at the very
back of the molecule to 100, which is completely in front of the
molecule. Intermediate values determine the percentage of the molecule to be drawn.
See set slabmode for
additional parameters used in slabbing.
Spacefill
Syntax: spacefill {<boolean>}
spacefill
temperature
spacefill user
spacefill
<value>
The RasMol spacefill command is used to represent all of the currently
selected atoms as solid spheres. This command is used to produce both union-of-spheres and
ball-and-stick models of a molecule. The command, spacefilll true, the
default, represents each atom as a sphere of Van der Waal's radius. The command spacefill
off turns off the representation of the selected atoms as spheres. A sphere
radius may be specified as an integer in RasMol units (1/250th Å) or a
value containing a decimal point. A value of 500 (2.0 Å)
or greater results in a "Parameter value too large" error.
The temperature option sets the radius of each sphere to the value stored
in its temperature field. A zero 0 or negative (-) value
causes no change in the selected atom. Temperature values greater than 2.00
are truncated to 2. The user option allows the radius of
the selected spheres to be specified by additional lines in the molecule's PDB
file using Raster 3D's COLOR record extension.
The RasMol command cpk is synonymous with the spacefill
command.
SSBonds
Syntax: ssbonds {<boolean>}
ssbonds <value>
The RasMol ssbonds command is used to represent the disulfide bridges of
the protein molecule as either dotted lines or cylinders between the connected cysteines.
The first time that the ssbonds command is used, the program searches the
structure of the protein to find half-cysteine pairs (cysteines whose
sulfurs are within 3 Å of each other) and reports the number of
bridges to the user. The command ssbonds on displays the selected
'bonds' as dotted lines ---, and the command ssbonds off
disables the display of ssbonds in the currently selected area. Selection of disulfide
bridges is identical to normal bonds, and may be adjusted using the RasMol set bondmode command. The color of
disulfide bonds may be changed using the color ssbonds command. By default, each disulfide bond
has the colors of its connected atoms.
By default disulfide bonds are drawn between the sulfur atoms within the cysteine groups.
By using the set ssbonds
command, the position of the cysteine's alpha carbons may be used instead.
Stereo
Syntax: stereo on
stereo [-] <number>
stereo off
The RasMol stereo command provides side-by-side stereo display of images.
Stereo viewing of a molecule may be turned on (and off) either by selecting Stereo
from the Options menu, or by typing the commands stereo on or stereo
off. The separation angle between the two views may be adjusted with the set stereo [-] <number>
command, where positive values result in crossed eye viewing and negative values in
relaxed (wall-eyed) viewing. The inclusion of [-] <number> in the stereo
command, as for example in stereo 3 or stereo -5, also
controls angle and direction.
As of RasMol version 2.6-beta-2, the stereo command is only partially implemented.
When stereo is turned on, the image is not properly recentered. (This can be done with a translate x -<number>
command.) It is not supported in vector PostScript output files; is not saved by the write
script command; and in general is not yet properly interfaced with several other
features of the program.
Strands
Syntax: strands {<boolean>}
strands <value>
strands dash
The RasMol strands command displays the currently loaded protein or
nucleic acid as a smooth "ribbon" of depth-cued curves passing along the
backbone of the protein. The ribbon is composed of a number of strands that run parallel
to one another along the peptide plane of each residue. The ribbon is drawn between each
amino acid whose alpha carbon is currently selected. The color of the ribbon is changed by
the RasMol color ribbon
command. If the current ribbon color is none (the default), the color is
taken from the alpha carbon at each position along its length. The color of the central
and outermost strands may be colored independently using the color ribbon1 and color ribbon2 commands respectively. The
number of strands in the ribbon may be altered using the RasMol set strands command.
The width of the ribbon at each position is determined by the optional parameter in the
usual RasMol units. By default the width of the ribbon is taken from the secondary
structure of the protein or a constant value of 720 for nucleic acids
(which produces a ribbon 2.88 Å wide). The default width of protein
alpha helices and beta sheets is 380 (1.52 Å) and 100
(0.4 Å) for turns and random coil. The secondary structure assignment is
either from the PDB file or calculated using the DSSP algorithm as used by the structure command. This command is similar to the RasMol
command ribbons which
renders the biomolecular ribbon as a smooth shaded surface.
Wireframe, backbone, and strands representations may be displayed with dashed (dotted)
lines. This is enabled by allowing the dash or dashes
parameter to the wireframe,
backbone, and strands
commands.
Structure
Syntax: structure
The RasMol structure command calculates secondary structure assignments
for the currently loaded protein. If the original PDB file contained structural assignment
records (HELIX and SHEET) these are discarded.
Initially, the hydrogen bonds of the current molecule are found, if this hasn't been done
already. The secondary structure is then determined using the Kabsch and Sander DSSP
algorithm [8]. Once finished, the program
reports the number of helices, strands and turns found.
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