phenix.map_to_object for HA sites
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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
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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< 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
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participants (2)
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Michael Hothorn
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Thomas C. Terwilliger