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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/)

Changing the Rotation Center of the Structure in 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/.

To change the rotation center of the structure to rotate around a sellected atom is easy to implement.

The following two structure images are rotating around the center of the molecule.

Structure rotating around the center of the molecule

Structure rotating around the center of the molecule


To change the center of rotation to the Blue Iodine atom, click on the Choose the Centre Atom Icon then click on the atom you want the center of rotation to be around. (in this case the Blue Iodine atom). You can use the Scale slide bar to zoom and unzoom the result.

Changing center of rotation of the structure


Now rotate around to the Blue Iodine atom to your heart's contect.

Structure rotating around the blue iodine atom

Structure rotating around the blue iodine atom


[Tutorials page] | [LMGP Suite Index]

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