[chimerax-users] alphafold contacts between 3 and more subunits

Tom Goddard goddard at sonic.net
Mon Oct 10 11:50:30 PDT 2022


Hi André,

  The "alphafold contacts" command creates a submodel of the atomic structure containing pseudobonds with the submodel named "PAE Contacts".  If you rename that submodel then it won't replace it when you do the second alphafold contacts command on the same structure.  For instance, if the structure is model #1.

	alphafold contacts /A to /B
	rename #1.1 "AB contacts"
	alphafold contacts /B to /C
	rename #1.2 "BC contacts"
	alphafold contacts /A to /C

This should be easier to do.  I should add an option to the alphafold contacts command "replace false" that automatically uses new names for each group of pseudobonds.  I've made a request for this.

	https://www.rbvi.ucsf.edu/trac/ChimeraX/ticket/7770

  Tom

> On Oct 10, 2022, at 5:47 AM, Michaelis, Andre Clemens via ChimeraX-users <chimerax-users at cgl.ucsf.edu> wrote:
> 
> Hi,
>  
> Is it possible to draw contacts (PAE, alphafold) between more than just 2 subunits?
> e.g.:
> alphafold contacts /A to /B
> AND
> alphafold contacts /B to /C
> AND
> alphafold contacts /A to /C
>  
> Righ now, a new command deletes the old contacts. Not sure about a syntax that would combine/add those
>  
> Thank you very much!
>  
> Best André
>  
>  
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