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 <[email protected]> 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 >[email protected] >_______________________________________________ >Mark A. Saper, Ph.D. >Associate Professor of Biological Chemistry, U-M Medical School >3040 Chemistry Building | [email protected] | +1 (734) 764-3353
