CESG MCW NMR protein structure data analysis pipeline
for more info, contact Brian Volkman (bvolkman@mcw.edu)

The directories labelled 1-10 contain all of the input data, scripts and output files 
used in solving the structure and represent a flowchart of the steps involved:

drwxrwxr-x    2 francis  cesg         4096 Mar  2  2005 1xeasy/
drwxrwxr-x   12 francis  cesg         4096 Apr  1  2005 2spscan/
drwxrwxr-x    9 francis  cesg         4096 Jan 11  2005 3garant/
drwxrwxr-x    8 francis  cesg         4096 Jan 11  2005 4assign/
drwxrwxr-x    3 francis  cesg         4096 Jan 11  2005 5talos/
drwxrwxr-x    6 francis  cesg         4096 Feb 22  2005 6noesy/
drwxrwxr-x   37 lytle    cesg         4096 Apr  6  2005 7candid/
drwxrwxr-x  195 volkman  cesg         4096 Apr  5  2005 8cyana/
drwxrwxr-x   14 lytle    cesg         4096 May 26  2005 9valid/
drwxrwxr-x    2 francis  cesg         4096 May 26  2005 10pdb_dep/

1xeasy: all spectra in XEASY format (*.3D.16 and *.3D.param)
2spscan: peaklists generated automatically by spscan 
3garant: each directory contains all of the input files, output and scripts used for GARANT runs, which generate automatic backbone assignments
4assign: peaklists containing final assignments of backbone and sidechain resonances 
5talos: input and output files of TALOS runs
6noesy: contains NOESY peaklists used in the structure calculations (written over as lists are edited)
7candid: each directory contains the input and output files of a CANDID run; the automatically generated NOE assignments are found in *-cycle7.peaks 
8cyana: each directory contains the input and output files of a non-CANDID CYANA run, in which the NOE assignments are edited manually
9valid: each directory represents water refinement of the corresponding CYANA results using XPLOR-NIH
10pdb_dep: contains final pdb files, restraints, and chemical shift list