module Chem::VMD

Overview

TODO drop this as a format.

Defined in:

chem/formats/vmd.cr

Class Method Summary

.write(io : IO, struc : Structure) : Nil
Writes a VMD command script to io.
.write(path : Path | String, struc : Structure) : Nil
Writes a VMD command script to path.

Class Method Detail

def self.write(io : IO, struc : Structure) : Nil #

Writes a VMD command script to io.

The script will load the source file (read from Structure#source_file) and display the secondary structure in the Cartoon representation. Custom colors are set for the secondary structure types.

TODO add colors to the docs.

[View source]

def self.write(path : Path | String, struc : Structure) : Nil #

Writes a VMD command script to path.