Difference between revisions of "Testset Objectives"
From Rizzo_Lab
(Created page with " Developer To Do: # 1AGW clean receptor mol2 file contains a missing amino acids that is near the crystallized ligand. There are two mirrored structures and the other nonchos...") |
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| − | # 1AGW clean receptor mol2 file contains | + | # (12/16/2022 2:11P)'''1AGW''' clean receptor mol2 file contains missing amino acids that is near the crystallized ligand. In the raw pdb file, there are two mirrored structures and the none-selected structure contains a more complete protein that would be more beneficial to this specific protein system. We must figure out why the incomplete structure is chosen over the more complete, then change the clean receptor mol2 into to the more complete structure. |
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| + | # (12/19/2022 3:08P)'''1L7F''' Check ligand guanidino bond orders and atom typings for this and similar Neuraminidase systems. | ||
Latest revision as of 18:24, 8 March 2024
Developer To Do:
- (12/16/2022 2:11P)1AGW clean receptor mol2 file contains missing amino acids that is near the crystallized ligand. In the raw pdb file, there are two mirrored structures and the none-selected structure contains a more complete protein that would be more beneficial to this specific protein system. We must figure out why the incomplete structure is chosen over the more complete, then change the clean receptor mol2 into to the more complete structure.
- (12/19/2022 3:08P)1L7F Check ligand guanidino bond orders and atom typings for this and similar Neuraminidase systems.
