Index of /ftp/pub/bmrb/timedomain/bmr19214/timedomain_data/ass/strip_pb

	Name	Last modified	Size	Description
	Parent Directory		-
	stripInfo_bb.tcl	28-Jun-2014 01:27	3.6K
	hnco_hn_unass.txt	28-Jun-2014 01:27	244
	stripInfo.tcl	28-Jun-2014 01:27	4.4K
	stripInfo_all.tcl	28-Jun-2014 01:27	6.8K
	hnco_hn	28-Jun-2014 01:27	5.4K
	hnco_hn.ccc	28-Jun-2014 01:27	8.7K

The main program is stripView.tcl (use stripView.tcl -stripCount 11)

But first "stripInfo.tcl" needs to be setup:


	A. Set all proper input variable names by using:

"showhdr -verb file.DAT" (read headers of all ft. files!)

and editing all proper axis (variable) names (e.g. HN, N, X_PPM, Y_PPM, etc.)


	B. set the right paths to all input files.


	C. convert to following input file formats:

getCols hsqc hsqc.tab  0 5 6 -hdr
put header from header.txt 

	1. IIA.tab
 
format (descending N15 ppm):

DATA DB_NAME  dbase
DATA TAB_NAME HSQC Assignments
DATA TAB_ID   1

DATA SEQUENCE MANLFKLGAE NIFLGRKAAT KEEAIRFAGE QLVKGGYVEP EYVQAMLDRE
DATA SEQUENCE VIGIAARNNE HIQVITSLTN

VARS  INDEX   HN     N
FORMAT %3d %8.3f %8.3f
   
  1 9.172 131.338
  2 8.830 130.523
  3 8.689 130.503
  4 8.908 129.644
  5 8.774 128.596
  7 8.990 127.949
...



	2a) hsqc data file "hsqc.DAT"
	2b) hsqc (assigned) peak picked table "IIA_bound" format:

VARS   INDEX X_AXIS Y_AXIS DX DY X_PPM Y_PPM X_HZ Y_HZ XW YW XW_HZ YW_HZ X1 X3 Y1 Y3 HEIGHT DHEIGHT VOL PCHI2 TYPE ASS CLUSTID MEMCNT
FORMAT %5d %9.3f %9.3f %6.3f %6.3f %8.3f %8.3f %9.3f %9.3f %7.3f %7.3f %8.3f %8.3f %4d %4d %4d %4d %+e %+e %+e %.5f %d %s %4d %4d

    1   202.625    41.195  0.486  0.139    9.172  131.338  5504.379  7987.840   5.859   3.931   23.146   16.809  199  206   39   43 +7.928716e+05 +1.077412e+04 +1.782743e+07 0.00000 1 R89    1    1
...




	3a) 3D spectra to be studied (e.g. hnca, hncacb, etc.) "C%03d.DAT"
	3b) hsqc peak picked table "IIA_hncacb_join", "IIA_cbcaconh" format:

VARS   INDEX X_AXIS Y_AXIS Z_AXIS DX DY DZ X_PPM Y_PPM Z_PPM X_HZ Y_HZ Z_HZ XW YW ZW XW_HZ YW_HZ ZW_HZ X1 X3 Y1 Y3 Z1 Z3 HEIGHT DHEIGHT VOL PCHI2 TYPE ASS CLUSTID MEMCNT
FORMAT %5d %9.3f %9.3f %9.3f %6.3f %6.3f %6.3f %8.3f %8.3f %8.3f %9.3f %9.3f %9.3f %7.3f %7.3f %7.3f %8.3f %8.3f %8.3f %4d %4d %4d %4d %4d %4d %+e %+e %+e %.5f %d %s %4d %4d

    1   199.916    54.838     2.323  0.258  0.257  0.214    7.880   62.126  132.943  4729.264  9375.539  8085.490   3.221   3.209   2.630   25.448  105.881   38.918  200  200   55   55    2    2 -1.329271e+06 +1.138190e+05 -1.281671e+06 0.00177 1 88V_CA    1    1
...