Simple question, it must have been answered before but couldn't find
it so far:
how can I get the RMSD value from the align command in a python
script? cmd.align() returnes a tuple of 8 numbers and none of them is
the actual RMSD value I get when I align these 2 structures manually.
thanks,
Tom,
The complication with cmd.align() is that it is doing a whole lot more than a
simple alignment. The first number is in fact the RMS, but it covers only the
subset of the input atoms remaining after refinement is completed. The count of
aligned atoms is the second field.
If you're looking
