Difference between revisions of "pdbMove"
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(Created page with " '''pdbMove''' isPDBfileの原子モデルを平行移動するための Eos's Command. == List of option == === Main option === <table border="1"> <div ali...") |
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| − | '''pdbMove''' is | + | '''pdbMove''' is [[Eos]]'s [[Command]] that performs parallel movement for atom model of [[PDB]] file. |
== List of option == | == List of option == | ||
Revision as of 01:26, 8 August 2014
pdbMove is Eos's Command that performs parallel movement for atom model of PDB file.
Contents
List of option
Main option
| Option | Essential/Optional | Description | Default |
|---|---|---|---|
| -i | Essential | Input:PDB | NULL |
| -o | Essential | Output:PDB | NULL |
| -x | Optional | Move X: [A] | 0 |
| -y | Optional | Move Y: [A] | 0 |
| -z | Optional | Move Z: [A] | 0 |
| -originTo | Optional | move (0,0,0) to (X,Y,Z) | (0.0, 0.0, 0.0) |
| -toOrigin | Optional | move (X,Y,Z) to (0,0,0) | (0.0, 0.0, 0.0) |
| -GCtoOrigin | Optional | GC(Gravity Centre) to origin | |
| -c | Optional | ConfigurationFile | NULL |
| -m | Optional | Mode | 0 |
| -h | Optional | Help |
-m details
| Value | Description |
|---|---|
| 0 |
Execution example
Option -h
$ pdbMove -h
Usage: /Applications/Eos.app/Eos/bin/X86MAC64/pdbMove
Options:
[-i[nput] In (NULL )] :Essential :InputDataFile
[-o[utput] Out (NULL )] :Essential :OutputDataFile
[-x X (0.0 )] :Optional :Move X[A]
[-y Y (0.0 )] :Optional :Move Y[A]
[-z Z (0.0 )] :Optional :Move Z[A]
[-c[onfig] configFile (NULL )] :Optional :ConfigurationFile
[-m[ode] mode (0 )] :Optional :Mode
----- Additional Usage -----
Input file details
Case: Options only essential
There is no change, because default of x, y, z is 0.0.
Setting Moving width (Option -x,-y,-z)
Case: All moving width = 1
White is Input file.
Case: x=-6.053012e+00,y=-2.519590e+01,z=-1.189075e+01
White is Input file.
