VMD-L Mailing List
From: Bennion, Brian (Bennion1_at_llnl.gov)
Date: Fri Jan 13 2012 - 11:06:27 CST
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Ah, yes I meant to ask about this script in my email as I saw it mentioned while searching the lists.
Brian
-----Original Message-----
From: John Stone [mailto:johns_at_ks.uiuc.edu]
Sent: Friday, January 13, 2012 8:58 AM
To: Bennion, Brian
Cc: vmd-l_at_ks.uiuc.edu
Subject: Re: vmd-l: using vmd to apply symmetry transformations
Brian,
I believe you should be able to do this. Have a look at this
VMD script that processes the PDB "BIOMT" records used for things like
viruses and the like, and reconstructs the full unit from the replicated
and transformed pieces:
http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/mono2poly/
Cheers,
John Stone
vmd_at_ks.uiuc.edu
On Fri, Jan 13, 2012 at 07:21:39AM -0800, Bennion, Brian wrote:
>
>
>
> Hello,
>
> Does the matrix transform command 'move' operate such that it could apply the symmetry transformations in pdb remark line 290?
> These operations are composed of a 3x3 rotation transform and a translation vector. They should also be applied so that the rotation is completed before the translation. Since the 'move' command uses a 4x4 matrix I was curious how it could be utilized in these types of operations.
>
> Thank you
> Brian
-- NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349 http://www.ks.uiuc.edu/Research/vmd/ Fax: 217-244-6078
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