Hi Otis,
Am 08.11.2010 um 20:22 schrieb Otis Rothenberger:
> Hi Alexander-
>
> I'm not sure exactly what you want to do, but if you want to
> independently translate or rotate non-bonded models, or rotate about a
> given bond (i.e. conformation rotation), then there is a really simple
> way to do either of these.
>
> 1) With one or more models in the same window, the command "set picking
> dragMolecule" will allow you to click/drag the models independently.
> Shift/click/drag will allow independent rotation.
(dragMolecule is missing from the documentation)
Anyway it works fine and smooth for _molecules_, not for some atom selection. I
want to use it (and have) to work with proteins. For example to align a dimer
(two molecules) with a lipid bilayer patch.
Whenever there are multiple molecules involved, the majority of existing
functions offer no easy solutions. "set dragSelected ON" does work for
translating all selected atoms, regardless weather they are from one or more
molecules.
Alex
>
> 2) The command "set picking rotateBond" will allow you to click select a
> bond. After the bond is click selected, shift/click/drag on either side
> of the bond will do a conformation rotation.
>
> Alternatively, you can enter Jmol's mode lkit mode and do all of this
> via menus - right-click/computaion/model kit.
>
> Otis
>
> Otis Rothenberger
> chemagic.com
>
>
> On 11/8/2010 1:39 PM, Alexander Rose wrote:
>> Hi,
>>
>>> From the manual
>>
>> "set allowRotateSelected FALSE
>>
>> When set TRUE, this parameter allows user rotation of the molecule
>> containing the selected atom using the mouse (holding ALT down while
>> dragging). The coordinates of the rotated molecule will be sightly degraded
>> in this process."
>>
>>
>> I would like to rotate an arbitrary set of atoms using the mouse and
>> currently "set allowRotateSelected TRUE" is the closest thing I found, but
>> works only for a single complete molecule.
>>
>> I started to implement something myself using bind and rotateSelected and in
>> principle it works:
>>
>> bind "CTRL-ALT-LEFT" "rotateSelected axisangle {1 1 1 _DELTAX}"
>>
>> but its not quite as "set allowRotateSelected TRUE". I think I need to make
>> the rotation angle depended on the current view?! Any suggestions?
>>
>>
>> Best
>> Alexander
>>
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>
>
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