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Tutorials and Examples

LMGP suite for Windows by Jean Laugier and Bernard Bochu

(Laboratoire des Materiaux et du G�nie Physique de l'Ecole Sup�rieure de Physique de Grenoble http://www.inpg.fr/LMGP/)

Displaying and Printing Single, Aromatic, Double and Triple Bonds in Gretep (this Gretep feature still under development)

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/.

Gretep also has a developing facility to show possible single/aromatic/double/triple bonds. This is still under development but may be of interest. If you can think of features that you would like to see in this regard, please consider passing them onto the author.

Load up a structure in Gretep.

Molecule on display in Gretep

Now select the Draw Double/triple check box. Gretep will now try and display which bonds might be aromatic or double bonds by changing their colour to green. In a hard copy, these will be printed as double bonds.

Green bonds are aromatic/double bonds

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