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In halogen bonds, the halogen bond donor coordinate in the ligand is assigned to "protcoo" and the acceptor coordinate in the protein in assigned to "ligcoo"
I ran PLIP analysis of the PDB structure 3DV3 via web server. In the report I got (attached), the ligcoo in the halogen bond is:
[44.442, -22.175, 4.419], which is the coordinate of the O atom in V127 of the PDB.
While the protcoo is [42.777, -19.685, 3.455], which is the iodine in the ligand. I believe this is a bug?
In halogen bonds, the halogen bond donor coordinate in the ligand is assigned to "protcoo" and the acceptor coordinate in the protein in assigned to "ligcoo"
I ran PLIP analysis of the PDB structure 3DV3 via web server. In the report I got (attached), the ligcoo in the halogen bond is:
[44.442, -22.175, 4.419], which is the coordinate of the O atom in V127 of the PDB.
While the protcoo is [42.777, -19.685, 3.455], which is the iodine in the ligand. I believe this is a bug?
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