NMRWish Built-In TCL Functions
dynWrite: Write the DYNAMO table or molecular structure.
dynWrite: Write a file of the given format.
| Flag |
Argument |
Default |
Description |
-src |
src |
|
Source of Data to Write. |
-out |
outName |
stdout |
Output Name. |
-rem |
|
|
remTxt Remark Text. |
Output Data Types:
-pdb |
|
|
PDB Data. |
-dc |
|
|
Dipolar Couplings. |
-cs |
|
|
Chemical Shifts. |
-pcs |
|
|
Pseudo-Contact Shifts. |
-bond |
|
|
Bond Distances. |
-noe |
|
|
NOE Distances. |
-hbond |
|
|
H-Bonds. |
-torsion |
|
|
Torsions. |
-improper |
|
|
Imporoper Torsions. |
-angle |
|
|
Angles. |
-j |
|
|
J Couplings. |
-ac |
|
|
AC Coords. |
Special PDB Output Options:
-off |
off |
|
Offset for Atom IDs. |
-renumber |
|
|
Renumber Atom IDs on Output. |
-noend |
|
|
Do Not Write END Record. |
|
|