Scripts of the NMRPipe System
cs2pk.tcl: Create NMRPipe-Format Peak Table from Chemical Shift table.
| Flag |
Argument |
Default |
Description |
-in |
inName |
csObs.tab |
TALOS Format CS Table Input. |
-ref |
refName |
fid.com |
Reference Conversion/Simulation. |
-out |
outName |
simTD.tab |
NMRPipe Format Output Peak Table. |
-com |
comName |
simTD.com |
Output Simulation Script. |
-sim |
fidName |
Auto |
NMRPipe Format Output FID. |
-type |
sType |
hn |
Spectrum Type. |
-var |
sVar |
SHIFT |
CS Table Shift Input Variable. |
Axis Order. Use keywords X Y Z or A, such as: X Z Y:
-tAxis |
tList |
Auto |
Time Domain (FID) Axis Order. |
-fAxis |
fList |
Auto |
Freq Domain (Peak Table) Order. |
Time-Domain Exponential Decay, Values in Hz:
-xw |
xw |
10.0 |
Decay for Signal X-Axis. |
-yw |
yw |
0.0 |
Decay for Signal Y-Axis. |
-zw |
zw |
0.0 |
Decay for Signal Z-Axis. |
Phase Correction. Also -y... -z...
-xP0 |
xP0 |
0.0 |
Zero Order Phase for X-Axis. |
-xP1 |
xP1 |
0.0 |
First Order Phase for X-Axis. |
Spectrum Types, Signal Axis, And Peak Coordinates:
HN X=HN Y=N hn/n
HNCO X=HN Y=N Z=CO hn/n/co(i-1)
HN(CA)CO X=HN Y=N Z=CO hn/n/co(i) hn/n/co(i-1)
CBCANH X=HN Y=N Z=CACB +hn/n/ca(i) -hn/n/cb(i) +hn/n/ca(i-1) -hn/n/cb(i-1)
CBCA(CO)NH X=HN Y=N Z=CACB hn/n/ca(i-1) hn/n/cb(i-1)
HNCA X=HN Y=N Z=CA hn/n/ca(i) hn/n/ca(i-1)
HN(CO)CA X=HN Y=N Z=CA hn/n/ca(i-1)
HNHA X=HN Y=N Z=HA +hn/n/ha(i) -hn/n/hn(i)
HN(CO)HA X=HN Y=N Z=HA hn/n/ha(i-1)
HBHANH X=HN Y=N Z=HAHB hn/n/ha(i) hn/n/hb(i) hn/n/ha(i-1) hn/n/hb(i-1)
HBHA(CO)NH X=HN Y=N Z=HAHB hn/n/ha(i-1) hn/n/hb(i-1) hn/n/hahb
HACA X=HA Y=CA ha/ca
HACACO X=HA Y=CA Z=CO ha/ca/co(i)
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