pdbChargeFit
Usage
Usage: pdbChargeFit
Options:
[-i[nput]f[ixed pdb] InFix (NULL ).as(inFile ) ] :Essential :InputFixedPdbFile
[-i[nput]m[oved pdb] InMove (NULL ).as(inFile ) ] :Essential :InputMovedPdbFile
[-o[utput] OutTxt (NULL ).as(outFile ) ] :Essential :OutputTextFile
[-s[ymmetry of helix(degree/A)]symmetry (0.47096 ).as(Real ) ] :Optional :default: 13/28
[-zmin zmin (-28 ).as(Real ) ] :Optional :minimum z
[-zmax zmax (28 ).as(Real ) ] :Optional :maximum z
[-zDel[ta] zDel (1 ).as(Real ) ] :Optional :delta z
[-mind[istance] mind (1 ).as(Real ) ] :Optional :set atoms distance to mind
[-maxd[istance] maxd (5 ).as(Real ) ] :Optional :ignore atoms distance
[-a[xis coordinate] axisX (70 ).as(Real )
axisY (70 ).as(Real ) ] :Optional :(x, y)
[-c[onfig] configFile (NULL ).as(inFile ) ] :Optional :ConfigurationFile
[-m[ode] mode (0 ).as(Integer ) ] :Optional :Mode
----- Algorythm -----
score = Sum(1/SQR(length))
, where length is the set of length between charged atoms