Pymolr

Pymolr is an R package for using PyMol commands from R. It can be used to embed publication-quality molecular images into documents produced by knitr.

Usage

See the included vignette for usage information.

Pymolr relies on the packages sys and XMLRPC. Note that XMLRPC is not available on CRAN, and must be installed via Omegahat. The Omegahat repository can be added to R with the command options(CRAN = c(getOption("CRAN"), "http://www.omegahat.net/R")).

Development

The full list of PyMol methods, along with the associated documentation, is generated by the script scripts/pymol_dump.py. See build.sh for an example.