pdb2mrc2d
Usage
Usage: pdb2mrc2d
Options:
[-i[nput] In (NULL ).as(inFile ) ] :Essential :InputDataFile
[-o[utput] Out (NULL ).as(outFile ) ] :Optional :OutputDataFile(2D)
[-O[utput] Out3D (NULL ).as(outFile ) ] :Optional :OutputDataFile(3D)
[-d[elta] dx (5.0 ).as(Real )
dy (5.0 ).as(Real ) ] :Essential :delta: dx[A] dy[A]
[-s[tart] sx (0.0 ).as(Real )
sy (0.0 ).as(Real ) ] :Optional :start: startx[A] starty[A]: When -s was not set, image centre is the origin(0,0,0)
[-n[umber] nx (0 ).as(Integer )
ny (0 ).as(Integer ) ] :Essential :N: nx ny (image size)
[-Rot[ation] rotnx (1 ).as(Integer )
rotny (1 ).as(Integer ) ] :Optional :rotnx rotny
[-S[tart] srotx (0.0 ).as(Real )
sroty (0.0 ).as(Real )
srotz (0.0 ).as(Real ) ] :Optional :start(rotx roty rotz):ZXY
[-startE[uler]A[ngle]sRotMode (YOYS ).as(String )
sRot1 (0.0 ).as(Real )
sRot2 (0.0 ).as(Real )
sRot3 (0.0 ).as(Real ) ] :Optional :EulerAngle: Start Angle
[-E[uler]A[ngle]Mode RotMode (YOYS ).as(String ) ] :Optional :RotationMode
[-E[uler]A[ngle]Rot1 dRot1 (5.0 ).as(Real )
minRot1 (0.0 ).as(Real )
maxRot1 (180.0 ).as(Real ) ] :Optional :FirstRotation
[-E[uler]A[ngle]Rot2 dRot2 (5.0 ).as(Real )
minRot2 (0.0 ).as(Real )
maxRot2 (180.0 ).as(Real ) ] :Optional :SecondRotation
[-w[eight] Weight (1.0 ).as(Real ) ] :Optional :weight
[-sig[ma] Sigma (0.0 ).as(Real ) ] :Optional :Sigma[A]:Atom radius
[-c[onfig] configFile (NULL ).as(inFile ) ] :Optional :ConfigurationFile
[-cuda cudaDeviceID (0 ).as(Integer ) ] :Optional :UseCuda
[-m[ode] mode (0 ).as(Integer ) ] :Optional :Mode: 0 Merc; 1: Earth
----- Attention1 -----
If both of -s and -startEA, first -s and second -startEA will be performed
----- Attention2 -----
Bug fixed: rotation around x-axis. + is changed to -
----- Mode -----
1: 0: equal angle 1: equal area
2: 0: Mercatol 1: Morwide