I was trying to prepare the ligand-binding domain of human estrogen receptor beta (1QKM: https://www.rcsb.org/structure/1QKM ) for docking and met the following error on the stage of .pdbqt file generation:
IDLE 1.2.6 ==== No Subprocess ====
>>> Unable to assign HAD type to atom N
Unable to assign valence to atom 1qkm_wo_non_std_rsdus(2):A:PRO358:N type = N
charges on carbons unchanged
Exception in Tkinter callback
The entire text of the error message is attached.
I'm using MGLTools version 1.5.6.
Before the .pdbqt file generation, I removed all Non-Standart residues using ChimeraX software and removed O@A and O@B atoms from Asp359 residue at the stage of hydrogens adding since they were non-bounded.
Does somebody know what it means and how to fix it?
I appreciate any tips and suggestions!
Thank you.