pdbMolecularInterfaceFind
From EosPedia
pdbMolecularInterfaceFind is Eos's Command.
Contents
List of option
Main option
| Option | Essential/Optional | Description | Default |
|---|---|---|---|
| -i | Essential | Input: PDB | NULL |
| -o | Optional | Output(Not implemented) | NULL |
| -id1 | Optional | Chain ID1 | A |
| -id2 | Optional | Chain ID2 | B |
| -d | Optional | Threshold distance | 1 |
| -c | Optional | ConfigurationFile | NULL |
| -m | Optional | Mode | 0 |
| -h | Optional | Help |
Currently, Result Output is Standard Output.
-m details
| Value | Description |
|---|---|
| 0 |
Execution example
Input file image
 |
Gravity Centre(CA) Atom far from Centre(CA) |
3.281389e+00 2.225817e+01 -4.999687e-04 3.798185e+01 |
Case: Options only essential
Output
2A 3A 3A 3A 3A 4A ... 177A 193A 194A 215A 255A 2B 3B 3B 3B 3B 4B ... 177B 193B 194B 215B 255B
Option -id1, -id2
Case: id1=B, id2=A
Output
2B 3B 3B 3B 3B 4B ... 177B 193B 194B 215B 255B 2A 3A 3A 3A 3A 4A ... 177A 193A 194A 215A 255A
Option -d
Case: d=0.5
Output
5A 47A 47A 52A 109A 109A 157A 161A 162A 162A 177A 255A 5B 47B 47B 52B 109B 109B 157B 161B 162B 162B 177B 255B
