NMRWish Built-In TCL Functions
dynSurface: Compute the solvent-accessible surface.
| Flag |
Argument |
Default |
Description |
-src |
pdbSrc |
|
Source of Structure. |
-r |
rad |
1.4 |
Radius of Surface Probe. |
-v |
cVal |
rad |
Value Recorded for Contacts. |
-cube |
cubeSize |
1.0 |
Size of Indexing Cube. |
-tol |
probeTol |
0.1 |
Tolerance for Overlap Test. |
-step |
stepSize |
0.1 |
Step Size for Probe. |
-keep |
|
No |
Keep existing exposed info. |
-noset |
|
No |
Keep existing selection info. |
Notes:
0. Returns: mass area volume
1. The contact information will be stored in the temperature factor entries of the PDB table.
2. This command resets the select ID of all atoms.
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