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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/)

Custom Bond labels / bond text-labels in GRETEP (Grenoble Thermal Ellipsoids Plot)

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/.

Load your structure file and get the molecule(s) and view you desire. Then click on the Bond Labels check box.

Gretep Main Screen and selecting bond labels

This will lead the following option box being created. You can customize the text font as well.

Bond label options

Select the Write a bond label check-box and whether you wish horizontal or oblique bonds and label away by selecting i) the two atoms which define the bond then ii) clicking on the space you would like the bond label placed.

If the text is in the wrong direction - click on the atoms defining the bond in the opposite order.

You can change the text of the label if you wish after you define the two atoms - in the text box in the top left of the screen.

Adding bond labels

You can of course add Atom Labels as an extra step

Adding atom labels

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

[Tutorials page] | [LMGP Suite Index]

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