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Molecular Geometrical Representation

  1. Aug 4, 2011 #1
    I would like to have a setup/software to geometrically simulate or represent the given molecule. For example I will input ; 2 hydrogen + 1 oxygen and it will output h2o and draw it's molecular shape. Also it would be much better if the software could give all the possible combinations of the input elements that will yield to a molecule. I was using such a software a while ago but forgot the name and couldn't find it further.Anyone can point to somewhere ?
  2. jcsd
  3. Aug 4, 2011 #2
    Try VMD (Visual Molecular Dynamics). You will need to input coordinate files of the positions of the atoms to get appropriate simulations.
  4. Aug 4, 2011 #3
    It's linux native, cuda compatible and python based. I ask myself ; what can a man wish more... Thanks!
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