NMRWish Built-In TCL Functions
vSurface: Add a term to a ramachandran distribution; used to general phi/psi surfaces for chemical shifts, etc.
vSurface: Generate a Phi/Psi Surface Gaussian:
| Flag |
Argument |
Default |
Description |
-sPtr |
|
None |
Pointer to Surface Value Matrix. |
-dPtr |
|
None |
Pointer to Surface Density Matrix. |
-val |
|
1.0 |
Surface Element Value. |
-thresh |
|
1.0e-8 |
Profile Threshold. |
Surface Element Parameters (Use x/X, y/Y):
-xSize |
|
0 |
X-Axis Size of Surface Matrix. |
-x1 |
|
-180 |
X-Axis Initial Coord. |
-xn |
|
180 |
X-Axis Final Coord. |
-xfw |
|
0.0 |
X-Axis Full Width at Half Height. |
-x0 |
|
0.0 |
X-Axis Location. |
Surface Types:
-gauss |
|
|
Gauss Surface (Default). |
-delta |
|
|
Delta Surface. |
-exp |
|
|
Exponential Surface. |
|
|