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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/)

Basic demonstration of GRETEP (Grenoble Thermal Ellipsoids Plot) Structure Viewing, Thermal Ellipsoid Plotting and analysis Software

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

[Tutorials page] | [LMGP Suite Index]


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/.

Gretep will allow you to open Gretep, Shelx, Powder Cell and Lazy Pulvarix files and will lead to the following screen. (Functions of the Icons have been labelled and putting your mouse pointer over the icon will give you a description of its functionality).

The structure can be rotated, translated, etc using click and drag on the mouse.

Gretep Main Screen plotting Sodium Chloride

Gretep Main Screen with labelled Icon functions

Selecting the top right Return to Main Menu icon will give you the following screen where you can change atoms, spacegroup, cell; generation, fragment searching options; modify bond length limits.

Main menu of Gretep

Selecting the Plot Icon will then plot the structure with the modified changes.

Re-plotting the structure

It is possible to zoom in on parts of the structure using the Zoom Icon.

Zoomed structure

Or the Scale slide bar to zoom.

UnZoomed structure

The more powerful your computer, the faster Gretep will display and allow the smoother the rotation of larger structures using the mouse.

Large structure in Thermal Ellipsoid mode

If you find Thermal Ellipsoids distracting, you can convert all the atoms to display in isotropic mode using the isotropic switch.

Large structure in isotropic atom mode

[Tutorials page] | [LMGP Suite Index]

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