| | |
- convert(filename, c_relax=1.25, dephasing_time=0.026100000000000002)
- first argument: a list of lines from a pck file
second argument: c_relax [default value: 1.25 ]
third argument: dephasing_time (2T) [default value: 0.0261 sec]
output: assignment statements appropriate for xplor
Input to this should be a .PCK file
with Assignments in Column 7
and the .PCK and Intensity in Column 6 and ID in column 1
Assignment MUST be of form I14.HA or I14.HN to that this
script can differentiate cross and diagonal peaks
There Can be anything between the . and the Atom name as long
as the atom name is the last part of the assignment string
The period MUST be immediately following the residue number
script calculates Corresponding 3-bond coupling constant
writes to stdout a Table containing:
Residue Diag Intens (Pk-ID) X Peak Intens (Pk-ID) Jhnha
|