Hello: Program ../beta/fit-move-comp.exe at line 43 in source fit-move-comp.main.c, Hello: which was compiled on Oct 19 1995 at 20:59:24. [T/F Option ] -help = 0 [New String ] -Moving = 5pti_rot.pdb [New String ] -Fixed = 5pti.pdb [Default String] -Output = (null) open_and_read_pdb(): Trying to read 5pti_rot.pdb CYS5 / SG CYS55 / SG adding sulpur bridge CYS14 / SG CYS38 / SG adding sulpur bridge CYS30 / SG CYS51 / SG adding sulpur bridge open_and_read_pdb(): Finished reading 5pti_rot.pdb open_and_read_pdb(): Trying to read 5pti.pdb CYS5 / SG CYS55 / SG adding sulpur bridge CYS14 / SG CYS38 / SG adding sulpur bridge CYS30 / SG CYS51 / SG adding sulpur bridge open_and_read_pdb(): Finished reading 5pti.pdb [T/F Option ] -SelectAll = 1 [T/F Option ] -VerifySelect = 0 [T/F Option ] -MyFit = 0 [T/F Option ] -FindFitTranslationOnly = 0 [T/F Option ] -FitTR = 1 FindFitTranslationOnly(): Fixed (centroid)=( 27.9745 9.4087 0.2552 ) FindFitTranslationOnly(): Moving(centroid)=( 27.8273 9.2342 0.1484 ) fit-move-comp.main.c [100]: FitTR means doing translation first. The secondary translation, which is ( 30.978 16.214 -28.308 ), should be (0 0 0) [T/F Option ] -SimpleDumpRT = 1 Rotation[3,3] \n Translation[3] \n RMS[1] [T/F Option ] -DoTransRot = 0 [T/F Option ] -CompareCoordinates = 1 fit-move-comp.main.c [122]: rms2 = 13.953509