VMD-L Mailing List

From: Margaret Shun Cheung (mscheung_at_ipst.umd.edu)
Date: Wed Apr 12 2006 - 11:48:45 CDT

Dear Peter,

Thank you for your email. I knew the vector of the long axis of my
molecule. I would like to rotate/transform my molecule so that eventually
this vector will align with (0,0,z). After the transformation, I can use
this new set of coordinates as an
input file in NAMD for pulling at (0,0,z) direction.
Thank you very much!
Sincerely,
Margaret

On Wed, 12 Apr 2006, Peter Freddolino wrote:

> Dear Margaret,
> to be clear, do you know what the long axis is and just want to know how to
> move things right, or do you not know what the longest axis is?
> Peter
>
> Margaret Shun Cheung wrote:
>
>>
>> Dear VMD wizards,
>>
>> I want rotate my aspherical molecule such that its long axis will be
>> aligned to the z- axis. Is there a VMD script that can be used for this
>> purpose?
>> Thank you very much!
>> Sincerely,
>> Margaret S. Cheung,
>> Ph. D. Postdoctoral Fellow,
>>
>> ------------------------------------------------------------
>> Room 2117 Tel: (301) 405-4892
>> Inst. for Phys. Sci. & Tech. Fax: (301) 314-9404
>> University of Maryland http://glue.umd.edu/~mscheung
>> College Park, MD 20742-2431 email: mscheung_at_ipst.umd.edu
>> ------------------------------------------------------------
>

Margaret S. Cheung,
Ph. D. Postdoctoral Fellow,

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Room 2117 Tel: (301) 405-4892
Inst. for Phys. Sci. & Tech. Fax: (301) 314-9404
University of Maryland http://glue.umd.edu/~mscheung
College Park, MD 20742-2431 email: mscheung_at_ipst.umd.edu
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