[chimerax-users] Computing protein cavities

Y. Mutum ym337 at cam.ac.uk
Tue Dec 29 05:37:00 PST 2020


Hi

This question is on calculating empty cavities of large protein complexes (~2 MDa) For example, the pdb-id: 6J5K. I have tried a few webservers and they are ignoring to calculate such large protein-pdb files as a whole.

Does ChimeraX have tools that can be installed from the 'More-Tools' or an inbuilt one to calculate protein cavities in ChimeraX?
If you could suggest external programs for computing cavities, that are reliable for such large protein-inputs, it would be also of a great help. The cavities need not be sealed by proteins all around - they can still be open to the bulk solvent.

Thanks
Yaikhomba
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