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