pdbCrystalCreate
Usage
Usage: pdbCrystalCreate
Options:
[-i[nput] In (NULL )] :Essential :Input:PDB
[-I[nfo] Info (NULL )] :Essential :Input:Crystal Information
[-o[utput] Out (NULL )] :Essential :Output:PDB
[-c[onfig] configFile (NULL )] :Optional :ConfigurationFile
[-m[ode] mode (0 )] :Optional :Mode
----- Additional Usage -----
----- CrystalInfo -----
aAxis %15.6g %15.6g %15.6g
bAxis %15.6g %15.6g %15.6g
cAxis %15.6g %15.6g %15.6g
CellLength %15.6g %15.6g %15.6g
Origin %15.6g %15.6g %15.6g
N %15d %15d %15d
StartN %15d %15d %15d
SpaceGroup %15d
HelixInfo %10d %10d %10d
### Attention ###
Parameter Order is important: Dependent between CellLength and a|b|cAxis.
Because each of aAxis, bAxis, cAxis must be a unit vector.
HelixInfo t u n
----- CrystalSpaceGroup -----
0 P1
1 HelicalSymmmetry