Hi, any particularly cogent reason why the order of symops is different
in coot and ccp4? (E.g. below: P6522.)
It's fantastically annoying, e.g. when trying to reconstruct symmetry
mates via ccp4, if the symop number is not what is shown in the coot
status bar. Or e.g. when trying to sort out inter-unit cell
disulphides. Etc.
phx.
.....................................
CCP4 (SYMOP.LIB)
X,Y,Z
-Y,X-Y,2/3+Z
Y-X,-X,1/3+Z
-X,-Y,1/2+Z
Y,Y-X,1/6+Z
X-Y,X,5/6+Z
Y,X,2/3-Z
X-Y,-Y,-Z
-X,Y-X,1/3-Z
-Y,-X,1/6-Z
Y-X,Y,1/2-Z
X,X-Y,5/6-Z
COOT (syminfo.lib)
symop x,y,z
symop x-y,x,z+5/6
symop -y,x-y,z+2/3
symop -x,-y,z+1/2
symop -x+y,-x,z+1/3
symop y,-x+y,z+1/6
symop -y,-x,-z+1/6
symop x-y,-y,-z
symop x,x-y,-z+5/6
symop y,x,-z+2/3
symop -x+y,y,-z+1/2
symop -x,-x+y,-z+1/3
