Index of /ftp/pub/bmrb/timedomain/bmr7007/analysis

[ICO]NameLast modifiedSizeDescription
[DIR]Parent Directory  -  
[DIR]hetnoe/30-Mar-2006 04:13 -  
[ ]analysis.tar30-Mar-2006 04:09 843M 
[DIR]10pdb_dep/30-Mar-2006 04:01 -  
[DIR]9valid/30-Mar-2006 04:12 -  
[DIR]8cyana/30-Mar-2006 04:12 -  
[DIR]7candid/30-Mar-2006 04:11 -  
[DIR]6noesy/30-Mar-2006 04:10 -  
[DIR]5talos/30-Mar-2006 04:10 -  
[DIR]4assign/30-Mar-2006 04:10 -  
[DIR]3garant/05-Apr-2006 06:18 -  
[DIR]2spscan/30-Mar-2006 04:10 -  
[DIR]1xeasy/30-Mar-2006 04:09 -  
CESG MCW NMR protein structure data analysis pipeline
for more info, contact Brian Volkman ([email protected])

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