c13noe01.tbl	4.8 and 1.8 (soft)
c13noe02.tbl	4.8 and 1.8 (soft)
c13noe03.tbl	4.8 and 1.8 (soft)
c13noe04.tbl	4.8 and 1.8 (soft)
c13noe05.tbl	4.8 and 1.8 (soft)
c13noe06.tbl	4.8 and 1.8 (soft)
c13noe07.tbl	4.8 and 1.8 (soft)
c13noe08.tbl	4.8 and 1.8 (soft)
c13noe09.tbl	4.8 and 1.8 (soft)
c13noe10.tbl	4.8 and 1.8 (soft)
c13noe11.tbl	4.8 and 1.8 (soft)
c13noe12.tbl	4.8 and 1.8 (soft)

ATTN: Make sure to update the path for tcl scripts: 
#!/usr1/people/gabrielc/bin/nmrPipe/install/nmrbin.sgi6x/nmrWish

Converting a PCK file into a XPLOR file (CON format):

A. Finding the minimum and the maximum intensities in a PCK file:

cp c13noe-12.PCK temp0

1. cut the header of the PCK file > temp0
2. for 3d experiments (to remove irrelevant NOEs):

   split-3d.tcl temp0 > temp
   cat out.keep temp > temp1
   mv temp1 temp

3. grep e+0m temp > tempmin 
   (try for m = 3, 4, 5, etc.)

   grep e+0M temp > tempmax (look for the max intensity for non-diag. NOEs)
   (try for M = 8, 7, 6, etc.)

(e.g., my first non-diag. NOE in /000-calib-2/c13noe-4.PCK was:
 523    68     8.102   4.5281   114.723  +1.57e+05 R60.HA; G61.N,HN)
      
4. sort -nk 6.1b tempmin > tempmins
   sort -nk 6.1b tempmax > tempmaxs

[for a 4d experiment: sort -nk 8.1b tempmin > tempmins]

   (or use xmgr to find the minimum and the maximum intensities)

B. Converting the PCK file (using 3dhhn.awk, 4dchhc.awk or 4dchhn.awk):

1. usage: 

3dhhc.awk null c13noe-12.PCK > c13noe12-1

2. sort +13n c13noe12-1 > c13noe12-1-dist (sort: distances)
   sort -nk 3 +8  c13noe12-1 > c13noe12-1-res (sort: residue number)

   adjust the CUTOFF_DIST (4.5 to 5) and XXX parameter:
   ["K = (CUTOFF_DIST - XXX/(-1.0 + (MAX_INTENSITY/MIN_INTENSITY)^0.3333)"]
   ["absi = XXX + (-1.0 + absi) * K"]

   (compare with wutrich book such that for a-helices d(Ai-Ni+3)~3.4) 
   (adjust the minimum and the maximum such that 1.9/2.2 < noe < 4.5/5.0)

I used CUTOFF_DIST = 4.8 and XXX = 1.8. Later decided ??? and ???!

3. adjust also the absi (40% to 25%)

4. corect for non-stereospecific assignments:
Need to add DATA SEQUENCE from stapp2.par to c13noe12-1:
DATA SEQUENCE MAAVQLSELR DRQAIFETLV AKGRELLACD RVIVYAFDDN YVGTVVAESV
DATA SEQUENCE AEGWPQARDQ VIEDPCFREH WVEAYRQGRI QATTDIFKAG LTECHLNQLR
DATA SEQUENCE PLKVRANLVV PMVIDDQLFG LLIAHQASEP RQWQEIEIDQ FSELASTGSL
DATA SEQUENCE VLERLHFLEQ TIASLHHHHH H

nonstereo.tcl c13noe12-1 > c13noe12-1_1

C. Sorting the XPLOR file:

sort -nk 3 +8 c13noe12-1_1 > c13noe12-2

D. Eliminating the redundant noes:

select.tcl c13noe12-2 > c13noe12-3

E. Deleting all the pairs (resid X and name HJ/HK) (resid X and name HK/HJ):

cut.tcl c13noe12-3 > c13noe12-4  

F. Transforming "|" in "or":

andor2.awk c13noe12-4 > c13noe12-5

G. Opening the lower limit of the noe error range:

noe-open-new.tcl c13noe12-5 > c13noe12-6

H. Create the final version (c13noe12) and copy it into CYANA directory!!!

cp c13noe12-6 c13noe12.tbl
cp c13noe12-5 c13noe12sq.tbl

I. The commented NOEs:

n c13noe12.tbl c13noe11.tbl-commented &
grep "!" c13noe12.tbl > c13noe12.tbl-commented
grep "!" c13noe12sq.tbl > c13noe12sq.tbl-commented

cp c13noe12.tbl*  /home/noi/work/pixj/xplor/
cp c13noe12sq.tbl* /home/noi/work/pixj/xplor/