Hi David,
On Fri, Oct 01, 2010 at 11:40:13AM -0400, David Roberts wrote:
> My question - finally - how can I run automolrep with one dimer fixed,
> looking for the location of the other 2 monomers (so basically I want to
> fix a dimer as part of my solution, and then search for the other 2
> molecules in the asu).
I found the latest MOLREP binary from
http://www.ysbl.york.ac.uk/~alexei/molrep.html#installation
to work very well (thanks Alexei!). Something like:
molrep_linux -f your.mtz \
-m monomer.pdb \
-mx fixed_dimer.pdb
It doesn't get simpler than that I guess ;-)
Cheers
Clemens
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