[chimerax-users] Move model from position

[Lara Koehler]

Dear chimeras users and developers, 

I would like to translate and rotate a model according to the rotation and translation matrix given by a fitmap. More precisely : I fit model #2 in map #1 and save the corresponding translation and rotation matrix with the save command. Then, I want to turn and move a model #3 so that it has the same position and rotation as model #2 (each correspond to the same pdb file). However, I want to do this automatically, so I need to do it from the matrix that is saved in a .positions file, and not from the (axis, axis point, rotation angle and shift along axis) values given by fitmap, but from the Matrix rotation and translation values. So far, 
- I compute the axis of rotation and the angle from the rotation matrix given by fitmap models #2 inMap #1 
- I turn #3 around this axis and angle, in coordinateSystems #1 
- I apply the translation also measured by fitmap models #2 inMap #1 to #3 (with three calls of the move command, for each axis x,y,z) 
However, there is a small gap between model #2 and model #3, whereas both should be at the exact same position. 

Maybe this has to do with the rotation center that is used in fitMap, but it cannot be saved in a .positions file, and I don't know how to recover it from the matrix rotation and translation given by fitmap. Do you have any idea of what I'm doing wrong, or how I could place model #3 at the same exact position as model #2 from the .positions file of model #2, and by moving and rotating model #3 ? (What I want to do then is re-apply this same transformation to build a chain of the same protein) 
Thanks, 
Lar 
	Lara KOEHLER 
Laboratoire de Physique Théorique et Modèles Statistiques 

Bureau L123 - Bâtiment 530 - Rue André Rivière 
91400 Orsay 
[ http://www.universite-paris-saclay.fr/ | www.universite-paris-saclay.fr ] 
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