Re: [ccp4bb] structure alignment based on the ligand

[junfeng liu]

Coot can do that. You can use lsq to overlap the whole atoms of ligands.
Another way is using LigAlign in Pymol.
Good luck!
leo

rui wrote:

Hi, All

I have dozens of complex structures ( protein + ligand ) and want to align the structures based on the ligand. Does anyone know such kind of program? Or if can get the information around the ligand site, that would be even better.

Thanks.

R