cncgen.tcl (carbon-nanocone generator)

A TCL script to create carbon nano-cone using VMD

USAGE:

• vmd -dispdev text -eofexit -e /path/to/file/cncgen.tcl -args <type> <cone-length>
  • <type> can be 1,2,3,4 or 5, representing carbon-nanocones of half-cone angles 9.6, 19.45, 30.0, 41.8 and 56.45 degrees
    
  • <cone-length> is the desired length of the cone from apex to base

CAUTION

The script wraps the graphene lattice produced by VMD to form a conical surface, providing a continuous conical surface of hexagonal carbon rings. However, this does not guarantee that the structural nuances of the nanocone apex is handled optimally from a material science point of view.

License

GNU General Public License v3.0