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 -- *************************************************************** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK *-------------------------------------------------------------- * BUSTER Development Group (http://www.globalphasing.com) ***************************************************************
