DISPLAY
to get the default host and display number.
molecule1
Draws 3d molecular structures
Usage
gltext [-display
host:display.screen]
[-window]
[-root]
[-visual
visual]
[-delay
microseconds]
[-fps]
[-wander]
[-no-wander]
[-spin
axes]
[-no-spin]
[-wire]
[-timeout
seconds]
[-labels]
[-no-labels]
[-titles]
[-no-titles]
[-atoms]
[-no-atoms]
[-bonds]
[-no-bonds]
[-molecule
filename]
Overview
The molecule program draws several different representations of molecules. Some common molecules are built in, and it can read PDB (Protein Data Base) files as input.
Options
molecule accepts the following options:
-
-window -
Draw on a newly-created window. This is the default.
-
-root -
Draw on the root window.
-
-install -
Install a private colormap for the window.
-
-visual visual -
Specify which visual to use. Legal values are the name of a visual class, or the id number (decimal or hex) of a specific visual.
-
-fps -
Display a running tally of how many frames per second are being rendered. In conjunction with -delay 0, this can be a useful benchmark of your GL performance.
-
-wander -
Move the molecules around the screen.
-
-no-wander -
Keep the molecule centered on the screen. This is the default.
-
-spin -
Which axes around which the molecule should spin. The default is "XYZ", meaning rotate it freely in space. "-spin Z" would rotate the molecule in the plane of the screen while not rotating it into or out of the screen; etc.
-
-no-spin -
Don't spin it at all: the same as -spin "".
-
-labels -
Draw labels on the atoms (or the spot where the atoms would be.) This is the default.
-
-no-labels -
Do not draw labels on the atoms.
-
-titles -
Print the name of the molecule and its chemical formula at the top of the screen.
-
-no-titles -
Do not print the molecule name.
-
-atoms -
Represent the atoms as shaded spheres of appropriate sizes. This is the default.
-
-no-atoms -
Do not draw spheres for the atoms: only draw bond lines.
-
-bonds -
Represent the atomic bonds as solid tubes of appropriate thicknesses. This is the default.
-
-no-bonds -
Do not draw the bonds: instead, make the spheres for the atoms be larger, for a "space-filling" representation of the molecule.
-
-wire -
Draw a wireframe rendition of the molecule: this will consist only of single-pixel lines for the bonds, and text labels where the atoms go. This will be very fast.
-
-timeout seconds -
When using the built-in data set, change to a new molecule every this-many seconds. Default is 20 seconds.
-
-molecule filename -
Instead of using the built-in molecules, read one from the given file. This file must be in PDB (Protein Data Base) format. (Note that it's not uncommon for PDB files to contain only the atoms, with no (or little) information about the atomic bonds.)
When the molecule is too large (bigger than about 30 angstroms from side to side), the -label option will be automatically turned off, because otherwise, the labels would overlap and completely obscure the display.
When the molecule is around 150 angstroms from side to side, wireframe mode will be turned on (because otherwise it would be too slow.)
Environment
-
XENVIRONMENT -
to get the name of a resource file that overrides the global resources stored in the RESOURCE_MANAGER property.