Molecula Paclet SymbolSee Also »

MSetCoordinates

MSetCoordinates[ ato , newval , coordsys ]
set newval to be the new coordinates of ato in coordinates system coordsys.
MSetCoordinates[ atolist , newvallist , coordsys ]
set listnewval to be the new coordinates of listato in coordinates system coordsys.
  • ato is a molecula hierarchical expression with head MAtom.
  • atolist is a list of molecula hierarchical expressions with heads MAtom.
  • newval can be any Mathematica expression.
  • newvallist can be a list ofany Mathematica expression.
  • coordsys is a string or a symbol pointing to a coordinates system. By default, loading a PDB file, only the Cartesian coordinates system is defined.
  • If coordsys is not defined in the atom, new values are used to initialize the coordinates in the new system..
EXAMPLESCLOSE ALL
Basic Examples   (1)
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Loads a sample atom:
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Get the original cartesian coordinates of the atom:
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Set new coordinates to the atom:
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Get the final cartesian coordinates of the atom:
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