[chimerax-users] Antw: Re: Global Fit List and Model Seperation

[Christian Tüting]

Hi Tom, 


thank you very much :) I overcome the issue by performing the search
multiple times (with each N = 50 searches). As multiple "correct"
fittings are present, I ended up with nearly all solutions. But having
the list will help for sure in the future.

best
Christian


>>> Tom Goddard <goddard at sonic.net> 29.06.21 0.05 Uhr >>>
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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