HELP FOR AWK SCRIPTS               last updated: Fri_Oct__3_14:10:11_CEST_2008

  you can download a tgz archive of all awk
  and other scripts from scripts.tgz [scripts-index.txt] 

 bugs, questions to eiso@nmr.chem.uu.nl

[?] ass2shift.awk (Jan-23-2008)
                 purpose: read in anything with assignments or chemical shifts 
                 check consistency and write a shift list
[?] ppm2prot.awk (Jun-12-12:15)
                 generate an xeasy .prot file from another shift.list or ppm.out file
[?] xpk2peaks.awk (Sep-20-2007)
[?] pdb2iupac.awk (Feb-11-2005)
[?] pdb2pdb.awk (Jun-12-12:17)
                 purpose: - reformat ATOM records for various conventions
                 - set B-factors for residues and/or atoms
[?] seq2shift.awk (Nov-21-2007)
                 fill shift list with chemical shift statistics 
                 from a database , currently the cyana lib file.
[?] predict.awk (Jun-12-12:16)
                 purpose   : make list of predicted peaks from shift-lists
[?] addass.awk (Feb-11-2005)
[?] reref.awk (Jun-12-12:18)
                 compare referencing for one or two peaklists in a 2D-histogram 
                 see also plotpeaks.awk
[?] plotpeaks.awk (Jun-12-12:15)
                 plot peaks in a 2D graph
                 useful for comparing referencing between peak files 
                 or within domains of one peakfile, see also reref.awk
[?] calib.awk (Jul-13-2005)
                 determining calibration parameters from bruker acqu file
                 use: calib.awk temp=298 acqu
                 [1] Wishart, D.S; Sykes, B.D. (1995) J. Biomol. NMR., 6, 135-140
                 1H, 13C and 15N chemical shift referencing in biomolecular NMR
[?] mergeshift.awk (Jun-12-12:12)
[?] gmx2nmr.awk (Jun-12-12:10)
                 opposite of nmr2gmx.awk
                 convert gmx topology distance and orientation restraints 
[?] nmr2gmx.awk (Jun-16-13:55)
                 make gromacs topology files for distance restraints 
                 and dipolar coupling data                                          
[?] diffshift.awk (Apr-23-10:33)
                 compare shift lists
                 e.g.   diffshift.awk [ options ] shiftlist1 shiftlist2
[?] complete_assignments.awk (Sep-20-2007)
                 adds assignments in xeasy peaklist where one atom
                 of a proton-heteroatom couple is assigned and the 
                 remaining assignment is clear.
[?] peaks-project.awk (Jun-12-12:13)
                 make lower dimension projections from xeasy peak files
[?] peaks-unfold.awk (Jun-12-12:14)
                 unfolds peaks in xeasy peaks files  
[?] unwatergate.awk (Feb-14-2005)
                 undo the effect of watergate water suppression on peak intensities
                 in nmrview xpk files
[?] colorchain2mac.awk (Feb-15-2005)
                 make molmol macro for rainbow-colored spline
[?] seq2seq.awk (Sep-20-2007)
                 convert protein aminoacid sequence files from 
                 oneletter to threeletter format and vice versa.
[?] seq2shift.awk (Nov-21-2007)
                 fill shift list with chemical shift statistics 
                 from a database , currently the cyana lib file.
[?] makehbonds.awk (Feb-11-2005)
[?] sparkysave2peaks.awk (Sep-21-2006)
                 convert sparky save files to xeasy peakslist 
[?] peaks2sparky.awk (Dec-14-2016)
                 create sparky readable peaklists (.list)
                 example: peaks2sparky.awk protein.seq [protein.prot] c13-cycle7.peaks
[?] addass2sparkysave.awk (Feb-11-2005)
[?] shifts2sparky-rl.awk (Sep-20-2007)
[?] check_hetero_atom.awk (May-15-2007)
[?] splitass.awk (Feb-11-2005)
[?] splitnoa.awk (Feb-11-2005)
[?] pdb2ariapdb.awk (Feb-11-2005)
[?] tblcount.awk (Aug-15-2005)
                 make a table with numbers of ambiguous and unambiguous 
                 intra/seq/medium/long/inter-dom restraints 
                 it needs a2ps to format the output.
[?] upl2tbl.awk (Jun-12-12:20)
                 very simple converter for xeasy .upl files to xplor/cns .tbl files
[?] tbl2upl.awk (Apr-22-2005)
                 convert (ambiguous) distance restraints in 
                 xplor *.tbl file to xeasy/cyana .upl/lol file
                 Use: 
                 tbl2upl.awk name.(seq|pdb) unambig.tbl > out.upl 
[?] filterpeaks.awk (May-26-2005)
                 filter peaklist for diagonal,water,lowest/highest intensities 
[?] tabstat.awk (Jun-12-12:21)
                 get stats on values in columns of tables
[?] linestat.awk (Jun-12-12:10)
                 perform statistic on a certain number of columns of each line 
[?] qual-col.awk (Jun-12-12:17)
                 purpose: color residues according to whatcheck bad/poor scores.
                 creates molmol macros    
[?] make_IDR.awk (Jun-12-12:11)
                 purpose: create restraints for working with proxy residues
[?] add-linkers.awk (Sep-20-2007)