NAME¶
gamgi - general atomistic modelling graphic interface
SYNOPSIS¶
gamgi [file_1.xml] ...
[file_n.xml]
DESCRIPTION¶
gamgi is a computer package to construct, view and analyse atomic
structures.
OPTIONS¶
file_n.xml is a fullname such as:
../dat/molecule/flavors/garlic.xml
~/gamgi/dat/molecule/flavors/garlic.xml
http://www.gamgi.org/dat/molecule/flavors/garlic.xml
ftp://ftp.gamgi.org/gamgi/dat/molecule/flavors/garlic.xml
Object and config data can be mixed, so
file_1.xml might be a preferences
file, loaded before the other object files. To automate the procedure, just
add a line as this to
~/.bashrc:
- alias gamgi='gamgi ~/gamgi/my_defaults.xml'
ENVIRONMENT¶
- GAMGI_HELP
- Set this variable to let GAMGI know where the Help documentation files
are. For example, add a line as this to ~/.bashrc :
- GAMGI_HELP=~/gamgi/gamgi/doc; export GAMGI_HELP
- GAMGI_TEXT
- Set this variable to let GAMGI know where are the .ttf DejaVu files, to
render solid fonts. For example, add a line as this to
~/.bashrc:
- GAMGI_TEXT=~/gamgi/gamgi/src/io/fonts; export GAMGI_TEXT
- BROWSER
- Set this variable to let GAMGI know which browser to launch, in case this
is chosen to read Help. For example, add a line as this to
~/.bashrc:
- BROWSER=firefox; export BROWSER
HELP¶
Read introductory information with Help->Start. Browse the documentation at
http://www.gamgi.org/ or its local copy at
gamgi/doc/. Use the
help mechanisms reunited under the Help button. Subscribe the mailling list
<gamgi-users@gamgi.org>.
Contact the author at <jcgp07@gmail.com>.
Throughout all interfaces and formats, lengths are in angstrom, angles in
degrees and decimal numbers are represented with dots. Every parameter that
can be defined in an interface can be also defined in a file and vice-versa.
INTERFACES¶
Rotate, move, scale the selected object pressing the left, middle, right mouse
button. Export the selected object choosing File->Export. The statusbar
shows the selected object (left) and layer (right).
To select an object, choose Object->Select and press over the object. Or
choose the object class on the menu above, with the middle button, before
pressing on the object. Or press twice Layer, Window or GAMGI on the menu
above. When the object has no visual representation, press the mouse over the
graphic area, to pop up a menu.
To select a layer, choose Layer->Select and press the mouse over the graphic
area, to pop up a menu. Or choose the layer class on the menu above, with the
middle button, before pressing the mouse over the graphic area, to pop up a
menu.
Solid objects usually require lights with diffuse and specular components to be
properly represented in 3D space, otherwise they look flat. Wired objects do
not have a 3D representation, so diffuse and specular lights are not
reflected, becoming poorly visible when using lights, unless a significant
ambient component is used. Often it is worth to draw solid and wired objects
in different layers, with and without lights.
When a task dialog is open, to learn how it works, just select Help->Current
and another dialog will pop up, explaining the meaning of all the parameters
in the task dialog.
To see detailed explanations of GAMGI interfaces, consult the reference manual
at
http://www.gamgi.org/interfaces/reference.html,
doc/interfaces/reference.html or Help->Topic->Interfaces.
GAMGI can import files in
.xyz and
.xml native format, selected
automatically by the file extension. GAMGI can export files in
.ps,
.ppm,
.jp[e]g,
.png,
.tif[f],
.x3d and
native
.xml formats, selected automatically by the file extension.
In GAMGI native XML format, a water molecule can be described as:
<gml>
<molecule>
<atom element="O" x="0.000" y="0.000" z="0.000" id="O1"/>
<atom element="H" x="0.776" y="0.540" z="0.000" id="H1"/>
<atom element="H" x="-0.776" y="0.540" z="0.000" id="H2"/>
<bond parent1="O1" parent2="H1"/>
<bond parent1="O1" parent2="H2"/>
</molecule>
</gml>
To see detailed explanations of GAMGI formats, consult the reference manual at
http://www.gamgi.org/formats/reference.html,
doc/formats/reference.html or Help->Topic->Formats.
EXAMPLES¶
Choose Help->Tutorials to get a list of fully described procedures,
exemplifying most aspects of the work with GAMGI.
SEE ALSO¶
http://www.gamgi.org/
AUTHOR¶
Written by
Carlos Pereira <jcgp07@gmail.com>, helped by
Steffen
Moeller <moeller@debian.org> and
Daniel Leidert
<daniel.leidert@wgdd.de>, from the Debian project.