read.pdb ATOM required formatting
I've recently been having a variety of Errors when reading in PDB generated by the Alphafold database. Turns out within the same PDB downloaded from a single organism, some pdb are outdated format of Alphafold so there are inconsistencies between PDB especially in the ATOM columns.
I'm just wondering what are the ATOM columns that read.pdb() function requires/prefers ? I've listed 2 examples of ATOM columns that either work or causes error in the function.
If anyone has suggestions it is greatly appreciated!
ATOM columns that DO work with read.pdb() Olfr10.pdb ATOM 1 N MET A 1 30.530 -0.829 -19.478 1.00 42.36 N ATOM 2 CA MET A 1 29.424 0.156 -19.504 1.00 42.36 C ATOM 3 C MET A 1 29.851 1.330 -18.643 1.00 42.36 C
ATOM columns that causes error Olfr101.pdb Error in matrix(if (is.null(value)) logical() else value, nrow = nr, dimnames = list(rn, : length of 'dimnames' [2] not equal to array extent ATOM 1 N N . MET A 1 1 ? 40.090 8.022 -18.582 1.0 36.89 ? 1 MET A N 1 Q920Z0 UNP 1 M ATOM 2 C CA . MET A 1 1 ? 39.081 8.613 -17.680 1.0 36.89 ? 1 MET A CA 1 Q920Z0 UNP 1 M ATOM 3 C C . MET A 1 1 ? 37.739 8.454 -18.370 1.0 36.89 ? 1 MET A C 1 Q920Z0 UNP 1 M
I think Olfr101.pdb is actually PDBx/mmCIF format. Use
read.cif()
instead.