Is there a script that will filter poses of molecules by distance from a specific atom on the molecule to a specific atom on a residue.
Ex. C12 on molecule 1 needs to be within 3 angstroms of O on Ser2209 on proteinX.
Thanks for any help!
Is there a script that will filter poses of molecules by distance from a specific atom on the molecule to a specific atom on a residue.
Ex. C12 on molecule 1 needs to be within 3 angstroms of O on Ser2209 on proteinX.
Thanks for any help!