From: Tristan Croll (tristan.croll_at_qut.edu.au)
Date: Mon Apr 07 2014 - 03:29:31 CDT

I was thinking that incorporating a dummy atom (or dummy molecule for devices with more than 3DOF) into the IMD PSF/PDB and forcing it to constantly follow the tool would be a fairly straightforward tracking mechanism. Tracking forces is, of course, another thing entirely. Will ponder on your suggestions.

Thanks,

Tristan

 
 
Tristan Croll
Lecturer
Faculty of Science and Technology
Institute of Health and Biomedical Engineering
Queensland University of Technology
60 Musk Ave
Kelvin Grove QLD 4059 Australia
+61 7 3138 6443
 
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> On 7 Apr 2014, at 5:19 pm, "Axel Kohlmeyer" <akohlmey_at_gmail.com> wrote:
>
>> On Mon, Apr 7, 2014 at 1:45 AM, Tristan Croll <tristan.croll_at_qut.edu.au> wrote:
>> Could it be made possible to save the location of a haptic interface pointer
>> and the applied force vector(s) when recording an IMD trajectory for later
>> playback? I think this would be a very useful feature when generating movies
>> to explain an IMD step, since the only solution at present seems to be to
>> capture video of the OpenGL window on-the-fly.
>
> adding this directly to the recording function is likely difficult,
> since that is only copying coordinate frames and that part of the code
> knows nothing about IMD. but john is the authority on such deep VMD
> internals.
>
> on the other hand, it might be possible to script this and write the
> tool status to a separate file whenever a new frame is created and
> then later use this information to draw custom graphics objects into a
> VMD movie. both recording and playback would have to use a trace on a
> suitable VMD variable that gets updated whenever a new frame is
> recorded. There are some explanations in the VMD user's guide and
> several plugins use this mechanism to draw extra graphical elements
> into the VMD screen.
>
> sorry for no specific answer, but perhaps these pointer can already
> help you find a solution.
>
> cheers,
> axel.
>
>
>>
>>
>>
>> Tristan Croll
>>
>> Lecturer
>>
>> Faculty of Health
>>
>> Institute of Health and Biomedical Engineering
>>
>> Queensland University of Technology
>>
>> 60 Musk Ave
>>
>> Kelvin Grove QLD 4059 Australia
>>
>> +61 7 3138 6443
>>
>>
>>
>> This email and its attachments (if any) contain confidential information
>> intended for use by the addressee and may be privileged. We do not waive
>> any confidentiality, privilege or copyright associated with the email or the
>> attachments. If you are not the intended addressee, you must not use,
>> transmit, disclose or copy the email or any attachments. If you receive
>> this email by mistake, please notify the sender immediately and delete the
>> original email.
>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste. Italy.