Works with default settings

This release has been tested to work with the default paths for script and data.

Auxiliary files in exec and inst/extdata

The auxiliary files in /inst/tools were not included in the compiled package.
Therefore, scripts have been moved to /exec and data to /inst/extdata.

Docker container with pdbencode.R script

This verson allows for PDBencode to Docker to run on the installed container with only the data directory as command line argument.

improved Docker scripts

v.0.4.3

improved Docker scripts

PDB read from data directory

v.0.4.2

Merge branch 'master' of https://github.com/Fraternalilab/PDBencode

Correction in Description file

A previously missing comma has been inserted into the author list.

command line options

Added command line options --script and --data to specify the paths to the R script and the input data.
That way the input data directory can be mounted in the Docker container and the script location is flexible.

CA chains only

Skips chains with less that 4 CA atoms.
The encoder requires at least 4 CA atoms to assign a Structural Alphabet letter to the molecule.

Complete package

Rchecked and with man pages

vanilla

v.0.1

Update README.md