README.md

bphon-releases is the landing page for the software releases of the BPHON program

Description

BPHON is a plugin for [ChimeraX](https://www.rbvi.ucsf.edu/chimerax/)
that allows one to take molecular structures and synthetically generate
a nmrPipe FT2 file that predicts NMR peak locations.

BPHON was designed by the team at NMRFAM at the University of Wisconsin
at Madison. Development began in 2023. It is freely available for use.

Download

  Download the latest release package: LINK1

  Earlier version links:

    LINK2
    LINK3
    etc

Install instructions

  Install ChimeraX on your computer

    Visit this link: <https://www.cgl.ucsf.edu/chimerax/download.html>

    Download a version greater than or equal to 1.7

    Install it using instructions at that site

  Install ShiftX2 on your computer

    Visit this link: <https://weberdak.github.io/traj2nmr/html/source/installation.html#shiftx2>

    Read the instructions on how to install ShiftX2

    Install it 

    DO NOT INSTALL ANYTHING ELSE MENTIONED IN THOSE INSTRUCTIONS

      For instance stop following the install instructions when
      the discussion gets to SPARTA+

  Install BPHON in ChimeraX

    start up ChimeraX

    in the command window type "devel install path-to-bphon/chimerax-plugin/tut_tool_qt"

    It will go into the Tools :: General menu

    Note: If you ever need to uninstall BPHON from chimerax do this:

      toolshed uninstall ChimeraX-BphonTool

      to be safe exit and restart chimerax after doing so

    Once BPHON has been installed try running it via the Tools :: General menu entry

      The first time you launch BPHON you will get an error dialog related to the
        "traj2nmr" package not being found.

      Just close the dialog and restart chimerax

      Once again launch BPHON via the Tools :: General menu entry

      A UI will be embedded on the lower right pane of ChimeraX and BPHON is ready
         for use.

DOI

License