Minimize

[alonsoo_hi@…]

Hello, 

My name is Alonso Herreros. I\u2019m a Biomedicine student and I\u2019m currently developing my final essay, in which I intended to use chimeraX in order to prepare some molecules I need. With this aim, I downloaded two different versions of ChimeraX (the 1.9 version and the daily build from April 16th). Despite this, I haven\u2019t been able to use the command minimize or installing the bundle that allows me to use it. After a long research I have discovered that this tool is not currently available. Is there any possible solution to this situation? This step is key in my research project. 

Thanks beforehand

[pett]

Hi Alonso,

As you discovered, ChimeraX does not have a minimization capability yet. Our older program, Chimera (www.cgl.ucsf.edu/chimera), does have a minimization capability so perhaps you could use that instead. Naturally, with a bit more effort you could use molecular mechanics programs such as Amber or Gromacs to do the minimization.

--Eric

Eric Pettersen
UCSF Computer Graphics Lab