Angel,
You may have to use a loop on something like this:
select within(branch, {atomno=2}, {atomno=3}); rotateSelected {atomno=2}
{atomno=3} 30
Is there a spinSelected equivalent to rotateSelected? I don't think there is.
The above is a simple rotation in butane. If you use this approach, you
probably want jumps less than 30.
Otis
--
Otis Rothenberger
[email protected]
http://chemagic.com
> On Nov 26, 2014, at 2:56 PM, Angel Herráez <[email protected]> wrote:
>
> Dear all,
>
> I am trying to achieve constant spinning earound a bond, using either
> "rotateSelected" or "rotate branch"
> I can get instant rotattion or gradual rotation, but it is not indefinite,
> i.e. it
> stops after a certain angle.
>
>> From the doc, I am expecting that the keyword SPIN can be used for
> indefinite spinning, but it is not. Also, the number is supposed to specify
> degrees per second but it is working as total degrees rotated.
>
> These are my attempts:
> rotate branch {35.CA} {35.N} spin 180.0 // does nothing
> rotate branch {35.CA} {35.N} 180.0 spin // spins for a total of 180 degrees
> rotate spin branch {35.CA} {35.N} 180.0 // does nothing
> rotate branch spin {35.CA} {35.N} 180.0 // does nothing
> rotate branch {35.CA} {35.N} spin 360.0 180.0 // spins fast for a total 360
> degrees (the doc suggests angle and rate, and so it seems to be the case)
>
> So, how do I specify the continuous spinning and how the rate?
> Thanks
>
>
>
>
>
>
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