[gmx-developers] Live Visualization of Simulations

Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu
Thu May 22 16:43:05 CEST 2008

On Thu, 22 May 2008, Mark Abraham wrote:

MA> Sounds like adding a flush onto trajectory writes and writing a custom
MA> plugin for VMD/pymol/whatever that updates the current display when the file
MA> timestamp changes should be simple and good enough for your purpose... You'd

or a simple hack similar to the one at:


with a little extra scripting you could make it more automatic.

MA> want to be sure that the extra I/O burden was worthwhile - be that a
MA> buffered file-system write or your xml-rpc idea.

that is why VMD uses a simple protocol over sockets that also allows
other things like force feedback. no need to make it needlessly 
complicated (or throw the xml-hype at it). for details have a look at:


MA> Mark
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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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