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Or, if you want to script it, you could use the mark_atom_as_fixed() or mark_multiple_atoms_as_fixed() functions to accomplish the same thing. On Mon, 30 Dec 2013 20:39:37 -0500, Mark A Saper <[log in to unmask]> wrote: >The regularize command (without a map) tends to move things more than I think they should. Perhaps the end atoms should be fixed. How would one restrain atoms to their starting coordinates? From the old days I recall Frodo's "REFI" command being better behaved. Any thoughts on this? > >Mark Saper >Dept of Biological Chemistry, Univ of Michigan >[log in to unmask] >_______________________________________________ >Mark A. Saper, Ph.D. >Associate Professor of Biological Chemistry, U-M Medical School >3040 Chemistry Building | [log in to unmask] | +1 (734) 764-3353