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An example is 3CBJ chain A. It begins as {'57P': 'PHE', '58P': 'THR', '59P': 'GLU', '60P': 'ASP', '61P':'LEU', '62P':'LYS', '1': 'LEU', '2':'PRO', ...}. P is the insertion code but the residues 57-62 are in the SEQRES record so it's a problem in pdbfixer that the ids will be [58, 60, 62, 64, 66, 68, 7, 8,...], which makes minResidue wrong because pdbfixer uses int type for residue ids. In the end, the residues will begin from residue 7 to end and the added residues in the end will begin at the wrong resid.
The text was updated successfully, but these errors were encountered:
I don't think I've ever seen a PDB file before where the residue IDs within a single chain weren't even monotonically increasing. How would one match them up to the SEQRES if you can't rely on the residue IDs to indicate sequence?
An example is
3CBJ
chainA
. It begins as{'57P': 'PHE', '58P': 'THR', '59P': 'GLU', '60P': 'ASP', '61P':'LEU', '62P':'LYS', '1': 'LEU', '2':'PRO', ...}
.P
is the insertion code but the residues 57-62 are in theSEQRES
record so it's a problem inpdbfixer
that theids
will be [58, 60, 62, 64, 66, 68, 7, 8,...], which makesminResidue
wrong becausepdbfixer
usesint
type for residue ids. In the end, the residues will begin from residue 7 to end and the added residues in the end will begin at the wrong resid.The text was updated successfully, but these errors were encountered: