Hi Michael, No, I'm afraid map-to-object only moves the whole contents of a PDB file close to the target object, not individual atoms. You can use a function in phenix.solve to do the job, however: ------------------------------------ #!/bin/csh -f cp $PHENIX/solve_resolve/ext_ref_files/p21.sym . # copy symmetry file to working directory phenix.solve<

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Hi,

I have a .pdb with heavy atoms that are dispersed all over the unit cell. I would like to move all of them (about 40) as close as possible to my refined structure. Could phenix.map_to_object do that for all heavy atoms at once, or would I need to do this in an atom by atom manner?

Thanks Michael _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb