[chimera-dev] Chimera-dev Digest, Vol 98, Issue 1

[ladam]

Le 04/06/12 21:00, chimera-dev-request at cgl.ucsf.edu a écrit :
> Message: 2 Date: Mon, 04 Jun 2012 15:28:27 +0200 From: ladam 
> <ladam at smbh.univ-paris13.fr> To: chimera-dev at cgl.ucsf.edu Subject: 
> [chimera-dev] Rotating about an axis with mouse Message-ID: 
> <4FCCB7FB.5060709 at smbh.univ-paris13.fr> Content-Type: text/plain; 
> charset=ISO-8859-1; format=flowed Hi all, I have a python script that 
> allows me to rotate a residue in a molecule of a desired angle around 
> a predefined vector. Now I'd like to be able to do this graphically 
> with the mouse on a selected residue. I have almost found what I want 
> if I use the 'Move selection' option in the 'Movement Mouse mode' but 
> this does rotate around the center of Mass or geometric center, not 
> around a vector. What I plan to do is derive the code from the 
> corresponding /share/MoveSelection/move.py module and try to insert a 
> vector instead of the center_of_rotation(self.movable_groups) but 
> there is maybe a better, simpler idea. Any suggestion? Thanks a lot
> -- -------------------------------- Patrick Ladam Ma?tre de Conf?rence 
> Universit? Paris 13 - UFR SMBH CSPBAT - Service RMN 74, rue Marcel 
> Cachin 93017 Bobigny Cedex Tel: 01 48 38 73 25 Fax: 01 48 38 77 77 
> mail: ladam at smbh.univ-paris13.fr ------------------------------- 
> ------------------------------ Message: 4 Date: Mon, 4 Jun 2012 
> 09:04:03 -0700 From: Elaine Meng <meng at cgl.ucsf.edu> To: ladam 
> <ladam at smbh.univ-paris13.fr> Cc: chimera-dev at cgl.ucsf.edu, 
> "chimera-users at cgl.ucsf.edu BB" <chimera-users at cgl.ucsf.edu> Subject: 
> Re: [chimera-dev] Rotating about an axis with mouse Message-ID: 
> <1A06A067-7C81-49D0-B154-D1CC50737764 at cgl.ucsf.edu> Content-Type: 
> text/plain; charset=iso-8859-1 Hi Patrick, If I understand correctly, 
> you can do what you want with "Constrained Move" (in menu under 
> Tools... Movement): 
> <http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/constrained/constrained.html> 
> (The purpose of "Movement Mouse Mode" is different, mainly to allow 
> moving subparts of a model. By default, mouse manipulation moves whole 
> models.) You can also specify center and axis of rotation if using 
> commands (turn, roll). 
> <http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/turn.html> 
> <http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/roll.html> I 
> hope this helps, Elaine ---------- Elaine C. Meng, Ph.D. UCSF Computer 
> Graphics Lab (Chimera team) and Babbitt Lab Department of 
> Pharmaceutical Chemistry University of California, San Francisco On 
> Jun 4, 2012, at 6:28 AM, ladam wrote:
Thank you for the answer Elaine,
Well the "constrained move" allows me to rotate the whole model, not
a selected residue in the model  (which is actually what i want to do).
What I would need is to use the constrained mouse rotation on a
subpart of the model (a previously selected residue or set of atoms
for instance).
So my guess is I should start from this Constrained Move module and 
modify it
to apply the movements to the currently selected residue or atoms.
At the moment I am going throught the code to see how to do it, I'll
probably need some advice later on.
Thanks again
Patrick