module Chem::PyMOL

Overview

TODO drop this as a format.

Defined in:

chem/formats/pymol.cr

Class Method Summary

.write(io : IO, struc : Structure) : Nil
Writes a PyMOL Macro Language (PML) script to io.
.write(path : Path | String, struc : Structure) : Nil
Writes a PyMOL Macro Language (PML) script to path.

Class Method Detail

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

Writes a PyMOL Macro Language (PML) script to io.

The script will load the source file (read from Structure#source_file) and display the secondary structure in the Cartoon representation. Secondary structure is overridden via the ss property based on the current secondary structure (see Residue#sec). 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 PyMOL Macro Language (PML) script to path.