3 <TITLE>pdbCrystalCreate</TITLE>
6 <H1>pdbCrystalCreate</H1>
9 Usage: pdbCrystalCreate
11 [-i[nput] In (NULL ).as(inFile ) ] :Essential :Input:PDB
12 [-I[nfo] Info (NULL ).as(inFile ) ] :Essential :Input:Crystal Information
13 [-o[utput] Out (NULL ).as(outFile ) ] :Essential :Output:PDB
14 [-c[onfig] configFile (NULL ).as(inFile ) ] :Optional :ConfigurationFile
15 [-m[ode] mode (0 ).as(Integer ) ] :Optional :Mode
16 ----- Additional Usage -----
17 ----- CrystalInfo -----
18 aAxis %15.6g %15.6g %15.6g
19 bAxis %15.6g %15.6g %15.6g
20 cAxis %15.6g %15.6g %15.6g
21 CellLength %15.6g %15.6g %15.6g
22 Origin %15.6g %15.6g %15.6g
26 HelixInfo %10d %10d %10d
28 Parameter Order is important: Dependent between CellLength and a|b|cAxis.
29 Because each of aAxis, bAxis, cAxis must be a unit vector.
31 ----- CrystalSpaceGroup -----