Table of Contents
Preface
1 Handling of the Programme
2 The Menu "File"
2.1 The Option "Save picture"
3 The Menu "Edit"
3.1 The Option "New molecule"
3.2 The Option "Add atom"
3.3 The Option "Create double bond"
3.4 The Option "Create triple bond"
3.5 The Option "Turn around axis"
3.6 The Option "Connect atoms"
3.7 The Option "Move"
3.8 The Option "Rotate"
4 The Menu "View"
4.1 The Option "3D-View"
4.2 The Option "Eye distance"
5 The Menu "Extras"
5.1 The Option "Editing on/off"
5.2 The Option "Multiple bonds"
Preface
This programme is an easy-to-use molecular editor which can render stereo-molecules in real-time.
It's possible that the next release can't read the current file format.
If something is unclear (or you can report an error) I would appreciate it if you can send me a mail.
The programme is free for private use. This page is the only source from which you are allowed to obtain the programme.
System requirements: DirectX 9.0c
Contact:
Homepage or
Mail to the author:
ralfneugebauer@alice.de
1 Handling of the programme
You can find the keyboard setting in the menu "Help".
If "New Molecule" or "Add atom" is selected you can find more atoms if you use the
context menu (right mouse button). By the left mouse button you can repeat the last input.
You can use the arrow keys and the page up and page down keys to rotate the molecule or the scene.
By the menu "Positioning" you can choose if you want to rotate (or move) a single molecule or the entire scene.
You can enlarge or reduce the size of the scene by the add (+) and the subtract (-) key or you can use the mouse wheel.
2 The Menu "File"
2.1 The Option "Save picture"
The size of the picture will be determined by the size of the window.
3 The Menu "Edit"
If you don't want that the programm highlights atoms you can disallow editing by the menu "Extras" "Editing".
If ball or space-filling model is selected the following options aren't allowed because the bonds aren't visible:
"Create double bond", "Create triple bond", "Turn around axis" and "Connect Atoms".
If "New molecule" is selected you can create a hydrogen molecule by pressing the "H" key.
3.1 The Option "New molecule"
If this option is activated you can create molecules by pressing the letters. You can find the
keyboard setting in the menu "Help". You can alternatively use the context menu.
Bond partners are hydrogen atoms by default.
3.2 The Option "Add atom"
If this option is activated you can add atoms by pressing the letters. You can find the keyboard
setting in the menu "Help". You can alternatively use the context menu.
If you add (to an existing molecule) an atom the nearest
hydrogen atom will be replaced.
3.3 The Option "Create double bond"
If two atoms are connected by a single bond this bond can be changed into a double bond.
The bond lengths of oxygen and carbon are defined. If you select two such atoms then an existing
single bond will be changed into a double bond. Both of the atoms must be bond to at least one
hydrogen atom which will be deleted instead.
If an carbon atom has two double bonds the axes of these double bonds are perpendicular.
A programme should be able to compare the angle between these bonds and rotate one part of a molecule
if the angle isn't perpendicular. At the moment you have to rotate the molecule part manually
with the option "Turn around axis".
Explanation: The programme doesn't know in which direction it should rotate the appropriate part of the
molecule. If different atoms are bond to the double bonds this could result in different structures.
Therefore this function wasn't included. After the programme has found one bond which can be used
to align the double bond the programme stops further testing.
With the option "Extras" "Multiple bonds" "simple" the multiple bonds are drawn like
single bonds.
3.4 The Option "Create triple bond"
If two atoms are connected by a single bond this bond can be changed into a triple bond.
The bond lengths of nitrogen and carbon are defined. If you select two such atoms then an existing
single bond will be changed into a triple bond. Both of the atoms must be bond to at least two
hydrogen atoms which will be deleted instead.
3.5 The Option "Turn around axis"
The first atom which you select won't change its position. The second atom (which is bond
to the first atom) which you select will be turned around the axis (which the two atoms define).
If you are selecting the second atom (by pressing the left mouse button) you must keep the
button pressed. The farther you move the mouse from it's origin position (Don't release the
left button!) the faster the second molecule part will be rotated.
3.6 The Option "Connect atoms"
If you want to create a bond in an existing molecule you must select for each atom one hydrogen
atom which is bond to the atoms between which you want to create a bond. The hydrogen atoms
will be deleted instead.
3.7 The Option "Move"
In the menu "Positioning" you can select if you want to move a single molecule
or the entire scene.
You have to press the left mouse button and keep the button pressed. You can
move the molecule or the scene by dragging the mouse.
If you have selected "Positioning" "z-axis" you can move the molecule (scene) to
you by moving the mouse down or away from you by moving the mouse up.
3.8 The Option "Rotate"
If you want to rotate a molecule or the entire scene (this can be selected in the menu
"Positioning") you have to press the mouse button and moving the mouse while the
button is pressed.
In the menu "Positioning" you can select along which axis the molecule will be rotated.
4 The Menu "View"
4.1 The Option "3D-View"
Red-cyan glasses can be used for 3D multi color pictures. The programme renders the scene
unicolored to get a better 3D effect.
Depending from the scene you have to change your distance to the monitor to get a good
3D effect.
4.2 The Option "Eye distance"
This option determines how strong the 3D effect is. If the effect is to strong then it's difficult
to see the scene without disturbances.
5 The Menu "Extras"
5.1 The Option "Editing on/off"
If you want to save a picuture of the scene and don't want that the programme highlights elements
you can disallow editing.
5.2 The Option "Multiple bonds"
If you want that the programme draw multiple bonds like single bonds you can set this option here.