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

[Tom Goddard]

Hi Patrick,

   Are you trying to rotate a residue about a bond?  If so, Chimera has 
specific capabilities for that, the "rotation" command

     
http://www.cgl.ucsf.edu/chimera/current/docs/UsersGuide/midas/rotation.html

If you really do want to rotate a subset of a molecule's atoms about a 
line which is not a bond I can give you a few lines of Python to do that.

     Tom


> 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
>
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