Index of /ftp/pub/bmrb/entry_lists/timedomain_entries/bmr7007/timedomain/analysis
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:
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
hetnoe: contains heteronuclear NOE data and analysis files