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Command Reference
RasMol allows the execution of interactive commands typed at the "RasMol>"
prompt in the command-line window (a window separate from the graphics window). Each
command must be given on a separate line. Keywords are case insensitive and may be entered
in either upper or lower case letters. All whitespace characters are ignored except to
separate keywords and their arguments.
The commands/keywords currently recognized by RasMol are given below.
*Note that the Set command includes a large number of important options, including, for example, set picking which allows the measurement of distances, angles and torsion angles among other things.
Backbone
Syntax: backbone {<boolean>}
backbone
<value>
backbone dash
The RasMol backbone command permits the representation of a polypeptide
backbone as a series of bonds connecting the adjacent alpha carbons of each amino acid in
a chain. The display of these backbone `bonds' is turned on and off by the command
parameter the same as the wireframe
command. The command backbone off turns off the selected 'bonds', and backbone
on or with a number turns them on. The number can be used to specify the cylinder
radius of the representation in either Angstrom or rasmol units. A parameter value of 500
(2.0 Å) or above results in a "Parameter value too large" error. Backbone
objects may be colored using the RasMol color backbone
command.
The reserved word backbone is also used as a predefined set and as a
parameter to the set hbond and set ssbond commands. The
RasMol command trace renders a
smoothed backbone, in contrast to backbone which connects alpha carbons
with straight lines. 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.
Background
Syntax:
background <color>
The RasMol background command is used to set the color of the
"canvas" background. The color may be given as either a color name or a
comma-separated triple of Red, Green and Blue (RGB) components enclosed in square
brackets. Typing the command help colors
will give a list of the predefined colors
recognized by RasMol. When running under X Windows, RasMol also recognizes colors in the X
server's color name database.
The background command is synonymous with the RasMol set background command.
Cartoon
Syntax:
cartoon <number>
The ribbons representation in RasMol has been extended to allow the display of Richardson
(MolScript) style protein cartoons. They are currently implemented as
thick (deep) ribbons. The easiest way to obtain a cartoon representation of a protein is
to use the new Cartoons option on the Display menu. The cartoon
<number> or cartoons <number> command on the RasMol
command line represents the currently selected residues as a deep ribbon with width
specified by the command's argument. Using the command cartoons without a
parameter results in the ribbon's width being taken from the protein's secondary
structure, as described in the ribbons
command. By default, the C-termini of beta-sheets are displayed as arrow heads. This may
be enabled and disabled using the set
cartoons <boolean> command. The depth of the cartoon may be adjusted
using the set cartoons
<number> command. The set
cartoons command without any parameters returns these two options to their
default values.
Center
Syntax: center {<expression>}
centre
{<expression>}
The RasMol center (or centre) command defines the point
about which the rotate
command and the scroll bars rotate the current molecule. Without a parameter the centre
command resets the centre of rotation to be the centre of gravity of the molecule. If an
atom expression is specified, RasMol rotates the molecule about the centre of gravity of
the set of atoms specified by the expression. Hence, if a single atom is specified by the
expression, that atom will remain 'stationary' during rotations.
Type help expression for more
information on RasMol atom expressions.
Clipboard
Syntax: clipboard
The RasMol clipboard command places a copy of the currently displayed
image on the local graphics 'clipboard'. Note: this command is not yet supported on UNIX
or VMS machines. It is intended to make transfering images between applications easier
under Microsoft Windows or on an Apple Macintosh.
When using RasMol on a UNIX or VMS system this functionality may be achieved by generating
a raster image in a format that can be read by the receiving program using the RasMol write command.
Color
Syntax: color {<object>} <color>
colour
{<object>} <colour>
color
{<object>} <[RGB triplet]>
Color the atoms (or other objects) of the selected zone. The color may be given as either
a color name or a comma-separated triple of Red, Green and Blue (RGB) components enclosed
in square brackets. A typical RGB triplet is [255,255,255], which is the color
white. Typing the command, help colors,
will give a list of all the predefined
colors recognized by RasMol.
Allowed objects are atoms, bonds, backbone, ribbons,
labels, dots, hbonds, and ssbonds.
If no object is specified, the default keyword atom is assumed. Some color
schemes are defined for certain object types.
The color scheme none can be applied to all objects except
atoms and dots, stating that the selected objects have no color of their own, but use the
color of their associated atoms (i.e. the atoms they connect). This command is
especially useful in script files.
Atom objects can also be colored by cpk, amino,
chain, group, shapely, structure, temperature, charge, and user. Hydrogen bonds can also be
colored by type
and dot surfaces can also be colored by electrostatic potential.
For more information, see Colors and Color Schemes.
Connect
Syntax:
connect {<boolean>}
The RasMol connect command is used to force RasMol to (re)calculate the
connectivity of the current molecule. If the original input file contained connectivity
information, this is discarded. The command connect false uses an
extremely fast heuristic algorithmm that is suitable for determing bonding in large
bio-molecules such as proteins and nucleic acids. The command connect true
uses a slower more accurate algorithm based upon covalent radii that is more suitable for
small molecules containing inorganic elements or strained rings. If no parameters are
given, RasMol determines which algorithm to use based on the number of atoms in the file.
Greater than 255 atoms causes RasMol to use the faster implementation. This is the method
used to determine bonding, if necessary, when a molecule is first read in using the load command.
CPK
The RasMol
command cpk is synonymous with spacefill.
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