pdbCrystalCreate

Usage

Usage: pdbCrystalCreate
Options:
    [-i[nput]            In                  (NULL      ).as(inFile              ) ] :Essential :Input:PDB
    [-I[nfo]             Info                (NULL      ).as(inFile              ) ] :Essential :Input:Crystal Information
    [-o[utput]           Out                 (NULL      ).as(outFile             ) ] :Essential :Output:PDB
    [-c[onfig]           configFile          (NULL      ).as(inFile              ) ] :Optional  :ConfigurationFile
    [-m[ode]             mode                (0         ).as(Integer             ) ] :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