filtering chain & ligand inputs

[Bae-SungHan]

Hi.
I'd like to ask you how to prepare protein/ligand input sequences for PoseBusters.
For the example of 7SUC_COM in PoseBusters benchmark, when I parsed the sequences from cif file of biological assembly 1, I got

• 6 protein chains
• sum of protein chains = 2472
• two ligand(ccd=COM)s

However, when I parsed the sequences from pdb file you provided, I got

• 5 protein chains (I thought they're subset of 6 protein chains from original cif, but they're not)
• sum of protein chains = 1794
• only one ligand

I think you cropped or filtered chain and ligands on your rule, but I don't know what it is.
Can you give me a guide?

Thank you

[arogozhnikov]

Hey @Bae-SungHan
can you post this to previous discussion #280 ? I don't want to spread this over multiple places: issues/discussion are held for users running into the same problem(s). Thanks!