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Applying deepres to a preprocessed version of EMD 21457 and then applying this protocol with a centered version of the corresponding PDB structure 6vyb, we get the B-factor as 0.000 for residue 1000 in every chain and nowhere else. I don't know if this is an issue with how xmipp is reading residue sequence numbers.
Example:
ATOM 6256 C GLY A 999 1.303 8.614 11.404 1.00 4.532 C
ATOM 6257 O GLY A 999 0.857 8.648 10.255 1.00 4.532 O
ATOM 6258 N ARG A1000 2.453 9.187 11.737 1.00 0.000 N
ATOM 6259 CA ARG A1000 3.241 9.909 10.756 1.00 0.000 C
ATOM 6260 C ARG A1000 3.970 8.974 9.806 1.00 0.000 C
ATOM 6261 O ARG A1000 4.125 9.284 8.624 1.00 0.000 O
ATOM 6262 CB ARG A1000 4.205 10.838 11.447 1.00 0.000 C
ATOM 6263 CG ARG A1000 3.534 12.012 12.099 1.00 0.000 C
ATOM 6264 CD ARG A1000 4.480 12.861 12.805 1.00 0.000 C
ATOM 6265 NE ARG A1000 3.842 14.041 13.300 1.00 0.000 N
ATOM 6266 CZ ARG A1000 4.455 15.004 13.993 1.00 0.000 C
ATOM 6267 NH1 ARG A1000 5.737 14.902 14.294 1.00 0.000 N
ATOM 6268 NH2 ARG A1000 3.770 16.072 14.369 1.00 0.000 N
ATOM 6269 N LEU A1001 4.393 7.822 10.303 1.00 4.782 N
ATOM 6270 CA LEU A1001 5.045 6.839 9.462 1.00 4.782 C
ATOM 6271 C LEU A1001 4.017 6.276 8.498 1.00 4.782 C
The text was updated successfully, but these errors were encountered:
Applying deepres to a preprocessed version of EMD 21457 and then applying this protocol with a centered version of the corresponding PDB structure 6vyb, we get the B-factor as 0.000 for residue 1000 in every chain and nowhere else. I don't know if this is an issue with how xmipp is reading residue sequence numbers.
Example:
The text was updated successfully, but these errors were encountered: