Hi folks, In Maestro there’s a “minimize” feature where only the selected atoms are allowed to move. It’s very helpful when I make a mutation that I want to locally relax and I want to be sure that the rest of the system won't change. Does ChimeraX support anything like this, or is it on the horizon? Thanks, Daniel
Hi Daniel, Not exactly what you asked, but see the "minimize" mouse mode to jiggle the clicked residue and nearby residues while the assigned button is held down: <https://rbvi.ucsf.edu/chimerax/docs/user/tools/mousemodes.html#top> <https://rbvi.ucsf.edu/chimerax/docs/user/tools/mousemodes.html#openmm> It's sort of a quick-n-dirty, but consider that this short local molecular dynamics may be more effective in surmounting small energy barriers than minimization. Still, they're both quite limited in exploring conformational space. I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Resource for Biocomputing, Visualization, and Informatics Department of Pharmaceutical Chemistry University of California, San Francisco
On May 12, 2026, at 12:57 PM, Daniel David Richman via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Hi folks,
In Maestro there’s a “minimize” feature where only the selected atoms are allowed to move. It’s very helpful when I make a mutation that I want to locally relax and I want to be sure that the rest of the system won't change. Does ChimeraX support anything like this, or is it on the horizon?
Thanks, Daniel
participants (2)
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Daniel David Richman -
Elaine Meng