ccsb-scripps / ADCP

AutoDock CrankPep for peptide and disordered protein docking
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Broken residues and missing atoms in results #5

Open patochinestrad opened 2 years ago

patochinestrad commented 2 years ago

Hi everyone,

I was able to run my docking with no issue. However, there are missing atoms and broken residues in my results. image

The residue selected on the image is supposed to be a Tyrosine. It happens on several residues at the same time, for example, the one above the selected Tyr is supposed to be a Leucine. When I open up the .pdb file on notepad, the residue is clearly missing atoms there too

ATOM 48 N TYR A 8 -12.622 14.397 16.883 0.00 0.00 N ATOM 49 CA TYR A 8 -13.292 13.133 16.599 0.00 0.00 C ATOM 50 C TYR A 8 -14.789 13.283 16.848 0.00 0.00 C ATOM 51 O TYR A 8 -15.555 12.364 16.566 0.00 0.00 O ATOM 52 CB TYR A 8 -12.699 11.987 17.425 0.00 0.00 C ATOM 53 CG TYR A 8 -9.552 11.299 16.722 0.00 0.00 C ATOM 54 H TYR A 8 -12.809 14.863 17.745 0.00 0.00 H

Any help is greatly appreciated!