[CCP14 Home: (Frames | No Frames)]
CCP14 Mirrors: [UK] | [CA] | [US] | [AU]

(This Webpage Page in No Frames Mode)

CCP14

Tutorials and Examples

LMGP suite for Windows by Jean Laugier and Bernard Bochu

(Laboratoire des Materiaux et du Génie Physique de l'Ecole Supérieure de Physique de Grenoble http://www.inpg.fr/LMGP/)

Adding Metal - Ring bonds in GRETEP (Grenoble Thermal Ellipsoids Plot) and customizing bond diameter and bond colour

The CCP14 Homepage is at http://www.ccp14.ac.uk

[Tutorials page] | [LMGP Suite Index]

Caveate

Due to problems/limitations in the Delphi development system, Gretep needs Windows to be running in (the normally default) Small Fonts Mode; other wise the window sizes and menus can go very strange. For more information on this, refer to the page on Strange Font Size Problems


GRETEP (Grenoble Thermal Ellipsoids Plot) is quite simple to use and is obtained from the LMGP program suite site at http://www.ccp14.ac.uk/ccp/web-mirrors/lmgp-laugier-bochu/.

Load your structure file and get the molecule(s) and view you desire.

Gretep Main Screen


To create the Metal-Ring bond, click on the top right Set the Ring Middle ICON.

Determining the middle of the ring


Now select the atoms in the ring - then right click. Gretep will then offer you the option of choosing an atom colour and radius of atom. It is best to choose a small atom radius and the colour you will eventually use for your Metal-Ring bond.

Selecting colour and radius of atom


Gretep will now put a dummy atom at the centre of the ring.

Dummy at the centre of the ring


Now select the Delete/Add Bond ICON and create a new bond from the dummy atom to the Metal. Then delete the ring Carbon-Metal bonds. Done

Creating the Metal-Atom bond


Customizing bond diameter and bond colour

To change the bond diameter and colour select the Customize bonds check-box which leads to the following screen. Select the colour you wish to make the bonds and the radius.

Customizing bond radius and colour


Now click on the atoms which connect the bonds you wish to apply this new radius and colours to change them. Click Right mouse button to exit this mode. Repeat as required.

In preparation for generating a Povray image, the background has also been changed.

Customizing bond radius and colour and background


And of course, using the Export image, Export a Povray file options, you can create photorealistically rendered images of the structure.

Povray image of Gretep generated structure

Povray image of Gretep generated structure


[Tutorials page] | [LMGP Suite Index]

[CCP14 Home: (Frames | No Frames)]
CCP14 Mirrors: [UK] | [CA] | [US] | [AU]

(This Webpage Page in No Frames Mode)

If you have any queries or comments, please feel free to contact the CCP14