VMD-L Mailing List

From: Samuel Flores (samuel.flores_at_yale.edu)
Date: Tue Dec 13 2005 - 15:43:03 CST

Hi Guys,

Is there a tcl function to extract the equivalent x,y,z euler angles from a
transformation matrix?

Thanks

Sam

Samuel Flores
Graduate Student
Gerstein Lab
 
Office:
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-----Original Message-----
From: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] On Behalf Of
John Stone
Sent: Wednesday, October 12, 2005 6:04 PM
To: mashaojie163
Cc: vmd
Subject: Re: vmd-l: Can vmd do symmetry operation?

Hi,
  VMD doesn't have any built-in symmetry handling code. It only includes
the ability to perform matrix transformations on the atom coordinates.
While this is general enough to do what you are probably wanting to do,
it doesn't provide a usable way to operate using symmetry records in the
PDB for example. If someone knows of scripts or libraries that can
emit the appropriate transformation matrices for a given set of symmetry
operators, that'd be very useful in adding such a feature or a plugin
for this specific purpose.

  John

On Wed, Oct 12, 2005 at 10:49:00AM +0800, mashaojie163 wrote:
> Hi:
> I want to do symmetry operation by use of vmd. What should I do? I know
I can use command "$sel move [transabout vec amount]" to accomplish rotation
amount by vec . But How can I do reflecting operation by a plane or a
point.
> Can vmd do symmetry operation by use of GRoup Theory?
>
Ma shaojie 

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