VMD-L Mailing List
From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Tue Feb 10 2009 - 16:53:19 CST
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On Tue, 10 Feb 2009, Roland Schulz wrote:
RS> Hi,
RS>
RS> http://www.ks.uiuc.edu/Research/vmd/vmd-1.8.6/ says it is possible to
RS> produce Flow Fields with the Field Lines Representation. How do I generate
RS> the volume data with the velocities? I would like to visualize flow fields
RS> of water around a macromolecule.
roland,
all you need is the data on a regular grid in one of the
supported formats, e.g. .cube, .dx (note: the 1.8.6 version
requires a special formatting). or generate the grid in
tcl (or python?) and then set it directly from within vmd.
in tcl you can use the "mol volume" command, see the readcube
script in the vmd script library.
cheers,
axel.
RS>
RS> Thanks
RS>
RS> Roland
RS>
RS>
-- ======================================================================= Axel Kohlmeyer akohlmey_at_cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
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