Opened 7 months ago

Closed 7 months ago

Last modified 7 months ago

#17406 closed defect (not a bug)

Minimize

Reported by: alonsoo_hi@… Owned by: Eric Pettersen
Priority: normal Milestone:
Component: Structure Editing Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description 

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

Change History (3)

comment:1 by Eric Pettersen, 7 months ago

Owner: set to Eric Pettersen
Platform: → all
Project: → ChimeraX
Status: new → accepted

comment:2 by Eric Pettersen, 7 months ago

Resolution: → not a bug
Status: accepted → closed

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

comment:3 by Eric Pettersen, 7 months ago

Component: Unassigned → Structure Editing
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