pdbRotation
Usage
Usage: pdbRotation
Options:
[-i[nput] In (NULL ).as(inFile ) ] :Essential :InputDataFile
[-o[utput] Out (NULL ).as(outFile ) ] :Essential :OutputDataFile
[-ZXY ZXYrotx (0.0 ).as(Real )
ZXYroty (0.0 ).as(Real )
ZXYrotz (0.0 ).as(Real ) ] :Optional :ZXY*pdb: rotz(rotz)rotx(rotx)roty(roty)
[-ZYX ZYXrotx (0.0 ).as(Real )
ZYXroty (0.0 ).as(Real )
ZYXrotz (0.0 ).as(Real ) ] :Optional :ZYX*pdb: rotz(rotz)roty(roty)rotx(rotx)
[-YXZ YXZrotx (0.0 ).as(Real )
YXZroty (0.0 ).as(Real )
YXZrotz (0.0 ).as(Real ) ] :Optional :YXZ*pdb: roty(roty)rotx(rotx)rotz(rotz)
[-XYZ XYZrotx (0.0 ).as(Real )
XYZroty (0.0 ).as(Real )
XYZrotz (0.0 ).as(Real ) ] :Optional :XYZ*pdb: rotx(rotx)roty(roty)rotz(rotz)
[-E[uler]A[ngle] RotMode (YOYS ).as(String )
Rot1 (0.0 ).as(Real )
Rot2 (0.0 ).as(Real )
Rot3 (0.0 ).as(Real ) ] :Optional :EA*pdb: EA=rot(rot3)rot(rot2)rot(rot1)
[-cuda cudaDeviceID (0 ).as(Integer ) ] :Optional :UseCuda
[-c[onfig] configFile (NULL ).as(inFile ) ] :Optional :ConfigurationFile
[-m[ode] mode (0 ).as(Integer ) ] :Optional :Mode
----- Additional Usage -----
ZXY : y-axis -> x-axis -> z->axis
ZYX : x-axis -> y-axis -> z->axis
ZXY -> ZYX -> XYZ ->YXZ -> EU