vector2pdb
vector2pdb is Eos's Command that creates PDB file by inputting parameter.
Contents
List of option
Main option
| Option | Essential/Optional | Description | Default |
|---|---|---|---|
| -o | Optional | Output: PDB | stdout |
| -v | Optional | Input: Vector: (vx, vy, vz) | (1, 0, 0) |
| -polar | Optional | Input: Vector[degree]: (phi, theta) | (0, 0) |
| -polarz | Optional | Input: z-axis for polar: (zx, zy, zz) | (0, 0, 1) |
| -polarx | Optional | Input: x-axis for polar: (xx, xy, xz) | (1, 0, 0) |
| -ori | Optional | Input: origin: (sx, sy, sz) | (0, 3, 0) |
| -step | Optional | Input: step: [A] | 1.6 |
| -n | Optional | Input: Number Of CA | 20 |
| -ID | Optional | Input: Chain ID | A |
| -Res | Optional | Input: Chain ID | GLY |
| -c | Optional | ConfigurationFile | NULL |
| -m | Optional | Mode | 0 |
| -h | Optional | Help |
-m details
| Value | Description |
|---|---|
| 0 |
Execution example
Case: Options only essential
 |
Gravity Centre(CA) Atom far from Centre(CA) |
1.520000e+01 3.000000e+00 0.000000e+00 1.520000e+01 |
Option -v
Case: v=(1, 2, 3)
 |
Gravity Centre(CA) Atom far from Centre(CA) |
4.062400e+00 1.112470e+01 1.218715e+01 1.520002e+01 |
Option -polar
Case: polar=(30, 45), v=(1, 2, 3)
 |
Gravity Centre(CA) Atom far from Centre(CA) |
9.308100e+00 8.374000e+00 1.074800e+01 1.520000e+01 |
Option -polarz
Case: polarz=(3, 2, 1), polar=(30, 45), v=(1, 2, 3)
 |
Gravity Centre(CA) Atom far from Centre(CA) |
1.377120e+01 9.259950e+00 -1.485850e+00 1.520002e+01 |
Option -polarx
Case: polarx=(1, 2, 3), polar=(30, 45), v=(1, 2, 3)
 |
Gravity Centre(CA) Atom far from Centre(CA) |
-1.781550e+00 8.668600e+00 1.399045e+01 1.519999e+01 |
Option -ori
Case: ori=(7, 3, 5), v=(1, 2, 3)
 |
Gravity Centre(CA) Atom far from Centre(CA) |
1.106240e+01 1.112470e+01 1.718715e+01 1.520002e+01 |
Option -step
Case: step=3.2, v=(1, 2, 3)
 |
Gravity Centre(CA) Atom far from Centre(CA) |
8.124700e+00 1.924945e+01 2.437420e+01 3.039995e+01 |
Option -n
Case: n=30, v=(1, 2, 3)
 |
Gravity Centre(CA) Atom far from Centre(CA) |
6.200467e+00 1.540090e+01 1.860140e+01 2.320029e+01 |
