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
[ICO]NameLast modifiedSizeDescription
[PARENTDIR]Parent Directory  -  
[DIR]1xeasy/2021-02-13 18:50 -  
[DIR]2spscan/2021-02-13 18:50 -  
[DIR]3garant/2021-02-13 18:50 -  
[DIR]4assign/2021-02-13 18:50 -  
[DIR]5talos/2021-02-13 18:50 -  
[DIR]6noesy/2021-02-13 18:50 -  
[DIR]7candid/2021-02-13 18:48 -  
[DIR]8cyana/2021-02-13 18:49 -  
[DIR]9valid/2021-02-13 18:48 -  
[DIR]10pdb_dep/2021-02-13 18:50 -  
[TXT]README.txt2021-02-13 18:50 1.2K 
[ ]bmr6464-analysis.tar2021-02-13 18:49 1.4G 
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