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
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