[chimerax-users] Global Fit List and Model Seperation

[Tom Goddard]

Hi Christian,

  I added the fit list panel to ChimeraX.  It will be in tonight's ChimeraX builds dated June 29, 2021.

	Tom


> On Jun 28, 2021, at 2:32 AM, Christian Tüting via ChimeraX-users <chimerax-users at cgl.ucsf.edu> wrote:
> 
> Dear ChimeraX-Team & MailingListUsers,
> 
> My question is actually two different questions: I would like to perform a global fitting in ChimeraX and seperate all fitting solutions into independent models.
> 
> I loaded the map (#1) and a dimeric model (#2) into ChimeraX and perform the global fitting by: fit #2 inMap #1 search 50
> 
> My map represents a homo-oligomeric model with 40+ monomers (20+ dimers), so multiple fitting solutions are probably correct solutions. This is the log of the fitting:
> "Found 41 fits. List window not yet implemented." which matches with my assumption.
> 
> I would like to now (a) inspect all fittings, but the list window is not implemented yet. Can I access the fitting solutions via console commands? And (b) I would like to save each fitted solution as an indepent object, reconstruction the entire model in the map for furhter refinement. Again, could this be done via commands like: "fit #2 inMap #2 search 50 saveFit fittings.pdb", which results in a multi-state pdb? The "Save PDB" button is probably only available in the List windows, which is not implemented yet.
> 
> 
> Thanks in advance
> 
> Best
> Christian
> 
> 
> 
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