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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 Atom Labelling including Symmetry Operators in GRETEP (Grenoble Thermal Ellipsoids Plot)

(Late February 2001 and beyond version of Gretep)

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/.

Custom labelling is very powerful in Gretep. You can define windows fonts, change the name of the label, the save the orientation and label information as part of the Gretep file.

In the February 2001 version of Gretep, you can also include symmetry operators as part of the atom labelling process so it is obvious how the atoms are related to each other.

First open the structure of interest and obtain the view of interest.

Viewing the structure


Select the Labels Off Centre option to bring up a set of labelling options. The centred labels will be drawn (so they are identified) but excess centred labels can easily be deleted later using the Delete all centred labels option.

Now select the Write a Label Off Centre option.

Labelling options


An Add the position code option will now appear. Select Yes to add symmetry operator information to the atom labels.

Labelling options


Now (you may find you need to re-optimise the view, scaling or font now point and click to add Atom Labels

Adding atom labels


[Tutorials page] | [LMGP Suite Index]

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