3 <TITLE>pdbShapeFit</TITLE>
11 [-i[nput]pdb[File] InPDB (NULL )] :Essential :InputDataFile
12 [-i[nput]mrc[File] InMRC (NULL )] :Essential :InputDataFile
13 [-C[ontour] Contour (0.0 )] :Essential :Contour
14 [-C[ontour]M[ode] ContourMode (0 )] :Optional :ContourMode: refer to mrcImageContourSurfaceCreate
15 [-o[utput of ]mrc OutMRC (NULL )] :Optional :OutputDataFile
16 [-o[utput of ]txt OutTxt (stdout )] :Optional :OutputDataFile
17 [-o[utput of ]pdb OutPDB (NULL )] :Optional :OutputDataFile
18 [-xmin xmin (0 )] :Optional :xmin for fitting
19 [-xmax xmax (0 )] :Optional :xmax for fitting
20 [-xd[elta] xDelta (1 )] :Optional :delta x for fitting
21 [-ymin ymin (0 )] :Optional :ymin for fitting
22 [-ymax ymax (0 )] :Optional :ymax for fitting
23 [-yd[elta] yDelta (1 )] :Optional :delta y for fitting
24 [-zmin zmin (0 )] :Optional :zmin for fitting
25 [-zmax zmax (82 )] :Optional :zmax for fitting
26 [-zd[elta] zDelta (1 )] :Optional :delta z for fitting
27 [-E[uler]A[ngle] EulerAngle (ZOYS )] :Optional :Euler Angle for three-angle
28 [-phimin phimin (0 )] :Optional :phimin for fitting(degree)
29 [-phimax phimax (194 )] :Optional :phimax for fitting(degree)
30 [-phid[elta] phiDelta (2 )] :Optional :delta phi for fitting(degree)
31 [-psimin psimin (0 )] :Optional :psimin for fitting(degree)
32 [-psimax psimax (0 )] :Optional :psimax for fitting(degree)
33 [-psid[elta] psiDelta (2 )] :Optional :delta psi for fitting(degree)
34 [-thetamin thetamin (0 )] :Optional :thetamin for fitting(degree)
35 [-thetamax thetamax (0 )] :Optional :thetamax for fitting(degree)
36 [-thetad[elta] thetaDelta (2 )] :Optional :delta theta for fitting(degree)
37 [-P[DB]C[ontour]M[ode]surfaceMode (0 )] :Optional :PDB SurfaceMode: refer to pdbSurface
38 [-order order (1.7 )] :Optional :order: refer to pdbSurface
39 [-refine refine (2 )] :Optional :refine: refer to pdbSurface
40 [-size size (3 )] :Optional :size: refer to pdbSurface
41 [-weight weight (100 )] :Optional :weight: refer to pdbSurface
42 [-mergin mergin (3.0 )] :Optional :mergin: refer to pdbSurface
43 [-thres thresHold (0.0 )] :Optional :threshold: refer to pdbSurface
44 [-I[nverse] ] :Optional :Black is High Density.
45 [-Centre ] :Optional :Filament-axis is x=0, y=0
46 [-c[onfig] configFile (NULL )] :Optional :ConfigurationFile
47 [-m[ode] mode (0 )] :Optional :Mode
48 ----- Additional Usage -----
49 -ipdb : Filename : An atomic model to be fitted (PDB)
50 -imrc : Filename : 3-D density map (mrc-formated)
51 -omrc : Filename : fitting score map (MRC)
52 z=0: a max-score map of an phi-z plane which includes a max score point.
53 The max score mean a maximum score in all x-y-psi-theta plane with specific values of phi and z.
54 z=1: a max-score map of an psi-theta plane which includes a max score point.
55 The max score mean a maximum score in all x-y plane with specific values of psi, theta, phi and z.
56 z=2: a score map of an x-y plane which includes a max score point.
57 -otxt : Filename : fitting results (Text)
58 -opdb : Filename : An atomic model with a maximum score after fitting
59 -x|y|zmin : Initial value of z (should <= zmax)
60 -x|y|zmax : Final value of z
61 -x|y|zd : Delta z for fitting (should !=0)
62 -phi|psi|thetamin : Initial value of phi (should <= phimax; initial value of phi is 0)
63 -phi|psi|thetamax : Final value of phi (should !=0)
64 -phi|psi|thetad : Delta phi for fitting (should >0)
65 -C : Contour level of map file
66 -Inverse: Protein has high density on the image
67 -Centre : Filament-axis in an inPDBFile is along the line of x=0, y=0
68 -EA : Euler Angle Set : ZOYS: z -> y -> x
70 -m 0 : Count the atom number inside the contour.