Dear Bob,

Some time ago we addressed the issue of writing transformed 
coordinates in MOL format, either using write command or write() 
function.
I think it was fixed in some 14.1.x version, but right now I am 
finding that 
zz = write("coord")
zz = write("coord", "t.mol")

are delivering the original coordinates and not the transformed 
coordinates.
The command,
write coord "t.mol"
does save a file with the correct transformed coordinates.
I've tested this on 14.2.0, 14.0.17, 14.1.16

Has the bug reappeared?



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