Dear Chimera users

I have been trying to select the atoms involved in the interface of a receptor/ligand complex in ChimeraX without success.

In UCSF Chimera

e.g.

open 4RSC

del solvent

sel #0:.b

del sel

select ligand zr>10

del sel

focus

measure buriedArea protein ligand

sel @/buriedSASArea

“Only atoms at the interface are selected” = OK

 

**The interface buried area calculation was performed and the atoms involved in the buried area were selected.

 

However, I wish to do the same in ChimeraX, for surface area calculations:

e.g.

open 4RSC

del solvent

del /B

select ::name="A3V"

view sel

measure buriedarea protein withAtoms2 ligand sel t list t cutoff 0

“All atoms in the interface are selected per residue” = KO

 

The results of the calculations are the following:

UCSF Chimera = 719.643

ChimeraX = 719.65

= OK

I have difficulties to select only the atoms in the interface, not all atoms of the residues, I have tried several ways to do this but it has been complicated, I even tried to insert the command “sel @/buriedSASArea” of UCSF Chimera in ChimeraX without success.

 

Sincerely.

 

Fer