VMD-L Mailing List

From: syma (syma.khalid_at_bioch.ox.ac.uk)
Date: Wed Oct 12 2005 - 04:35:45 CDT

Hi,
I was just wondering if there is a way for me to create a 3d data set with
tcl? The exact problem is:

I have a file containing the resid and centre of mass of every lipid
molecule in contact with protein atoms during a trajectory. So I have this
info for every frame of my trajectory.

Is there anyway of binning one of the com coordinates (eg z coordinate) for
each frame, so I end up with number of contacts as a function of time and z
coordinate?

If so please can someone help me get started with some of the code.
Thank you, in advance.

-Syma

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Dr Syma Khalid
Department of Biochemistry,
University of Oxford
South Parks Road,
Oxford
OX1 3QU
U.K.

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