The read.csv function has an idiotic addition to automatically
interpret characters such as # as comments. This will, obviously
murder all SMILEs with hashes.

We made an effort to add comment.char='' to each read.csv call.

This is a major update in which shinyscreen was adapted to take a set
of existing IDs from a master compound and do what it originally did.

* R/mix.R(rendersmiles2): Fix colour.

* R/mix.R(rendersmiles2): Fix colour.

* R/mix.R(rendersmiles2): Fix colour.

* R/mix.R(rendersmiles2): Fix colour.

* R/mix.R(rendersmiles2): Fix colour.

* R/mix.R(rendersmiles2): Fix colour.

* R/mix.R(rendersmiles2): Fix colour.

* R/mix.R(rendersmiles2): Fix colour.

* R/run.R (presc.do,sw.do,mb.do): Fix.

* R/mix.R: Modified server to test for button clicks.

* R/mix.R(presc.shiny): The save all button is working now.

* R/mix.R(presc.shiny): The subit botton for the checkboxes almost
  works to save it's output.

* R/mix.R(presc.shiny): The prescreening analysis box is ready to be used.

* R/mix.R(presc.shiny): Checkboxes are present for every tag using
  lapply() and do.call().

* R/mix.R(presc.shiny): A new textInput to be able to change the name
  from the default one.

* R/mix.R(presc.shiny): Added observeEvent, new server bits to plot
  pdf.

* R/mix.R: Modified server to test for button clicks.

* R/mix.R(presc.shiny): Updated.

* DESCRIPTION: New imports.
  [curl]

* R/mix.R(rendersmiles2,renderurl): New functions.
  Various function that are a rip-off of Emma's RChemMass and deal
  with the plotting of structures using an online resource.

* man: Update docs.

More sensible (re)loading of the configuration files, encapsulation of
certain operations and other fixes

* mix.R(get_.*): Generate various filenames.

* mix.R(various intermediate wrappers around RMassBank calls):
  removed.

* run.R(presc.do): Adjust to changes in mix.R

* man: Update docs.

* NAMESPACE: Update exports.

* README.org: New file.

The main issue is that I have removed type='FORK' everywhere it
clearly produced issues. I should probably do that in presc, too.