I am doing a molecular replacement.
There are two types of protein molecules in the
crystal. One type is forming a hexameric core; there are 6 molecules of the
second type that I need to locate.
I found a solution for the hexameric core, but the
other 6 molecules are difficult to find.
1. Can I fix the solution for the core, so
that I don't have to find it every time. The other inconvenience
with that is that the origine is different for every new run. If I fix the
hexamer, then I fix the origine. It's important to me to compare different runs
of MR.
2. Some of the six other molecules that
MR finds are not the closest to the core. How can I request to output the
closest molecules?
Maia