PRODIGY-LIG Ligand ID

PRODIGY
1

Hello,

I am currently conducting a redocking strategy with a macrocyclic ligand. PDB from RCSB has the residues within the cyclic compound named along with nonstandard parts, so ligand has multiple resID.

Asking if this can be edited into one resID or it’s possible to input multiple three-letter residue names for the ligand ID. For the former, please kindly provide steps on how to do so through which software.

Thank you very much.

2

I would first try to give the same ligand residue name to all and see if it works.

If you want to edit it, PDB files are simple ASCII text files. Any editor will do (as long as you save it as ASCII file again)