rubberbonds - form a stretchable bond between two atoms
Name
rubberbonds - form a stretchable bond between two atoms
Author
Nihar Gokhale
gokhale@mcs.anl.gov
Summary
Name rubberbonds
Type Mapper
Inputs molecule - molecule REQUIRED
Outputs rubberbonds - geom
Parameters
Name Type Default Choices
equilibrium radius float 0.29 0 1
Description
Given a molecule,
atoms within a molecule. The cylinders start with a
default radius for the equilibrium condition. As the
bond gets stronger (shorter distance), the radius is
enlarged proportionately. As bonds get weaker (longer
distance), the cylinders become long and thin, and, at
some point "pop" (i.e. are no longer visible).
Inputs
molecule - molecule
Parameters
equilibrium radius (float)
Outputs
rubberbonds - geom
Example networks
/home/gokhale/avs/bash/rubber.net
Big Read Structure File
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Display Molecule rubberbonds
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geometry viewer
Related modules
cylinders - available on avs.ncsc.org
See also
/home/source/graphics/avs-mcs-source/Chemistry/CHEMcon_r.c