NMRWish Built-In TCL Functions
dynRead: Read a table or molecular structure for the DYNAMO structure manipulation environment.
Flag |
Argument |
Default |
Description |
-in |
inName |
|
Input Name or List. |
-prefix |
str |
|
Verbose Mode Prefix Text. |
-dyn |
|
|
Add Dynamics Info (PDB Only). |
-verb |
|
|
Verbose Mode ON. |
Input Format Types:
-pdb |
|
|
PDB Format (Default). |
-gmc |
|
|
GMC Format. |
-gdb |
|
|
GDB Database Format. |
-dc |
|
|
Dipolar Couplings. |
-dcList |
|
|
Dipolar Coupling Table List. |
-cs |
|
|
Chemical Shifts. |
-pcs |
|
|
Pseudo-Contact Shifts. |
-j |
|
|
J-Couplings. |
-dist |
|
|
Generic Distances. |
-noe |
|
|
NOE Distances. |
-ds |
|
|
Pairwise Symmetry Distances. |
-ac |
|
|
Atom Coord Constraints. |
-atom |
|
|
Atom Parameters. |
-bond |
|
|
Atomic Bonds. |
-vdwex |
|
|
VDW Exclusions. |
-vdwexSeg |
|
|
Exclude Inter-Segment VDW Terms. |
-hbond |
|
|
Hydrogen Bonds. |
-radGyr |
|
|
Radius of Gyration. |
-angle |
|
|
Angles. |
-torsion |
|
|
Torsion Angles. |
-improper |
|
|
Torsion Angles. |
-dt |
|
|
DELPHIC Torsion restraints. |
-dtg |
delTorSrc |
|
DELPHIC Torsion Gaussians. |
-auto |
|
|
Auto Mode. |
-null |
|
|
Null Argument. |
Special Chemical Shift Options:
-csWList |
wList |
|
AtomName/Weight Pairs. |
-csSrc |
csSrc |
|
Known Chemical Shifts of PDB. |
Special Dipolar Coupling (DC) Options:
-keepDI |
|
|
Keep Existing Dipolar Interation (DI) Values. |
-nokeepDI |
|
|
Replace Existing DI Values (Default). |
-daScale |
|
|
Scale Forces of Multiple Tensors (Default). |
-nodaScale |
|
|
No Scaling of Forces. |
|
|