::!/bin/sh :: ::c So far program messages are: ::c Input/Output MERLOT ALPHA BETA GAMMA ::c Input/Output MERLOT THETA1 THETA2 THETA3 ::c Input/Output MERLOT PHI PSI KAPPA ::c Input/Output MERLOT MATRIX ::c Input/Output CCP4 ALPHA BETA GAMMA ::c Input/Output CCP4 PHI PSI KAPPA ::c Input/Output CCP4 MATRIX ::c Input/Output XPLOR THETA1 THETA2 THETA3 ::c Input/Output XPLOR PHI PSI KAPPA ::c Input/Output XPLOR MATRIX :: Keywords symm cell orth are not used fully. :: Loads of output - not all useful! :: At present make sure your orthogonalising conventions are :: the same for ALMN or MERLOT as the XPLOR one. XPLOR IS RIGID!!! :: always NCODE = 1. XPLOR spherical polars are defined differently :: to those in ALMN/MERLOT. :: rotmat < %SCRIPTWIN%\rotmat.dat