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chandkc / X-ESS

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error in MD data analysis #65

Closed LobeliaG closed 2 years ago

LobeliaG commented 2 years ago

PIPL01 software-windows-hackathon exe

1.In run MD page I selected one combination and it's APO for MD, and left another out. However in data analysis, the left out combination is also seen in the target list. image image image

  1. In average RMSD page, only the APO combination is showing for whole protein. For binding site, both APO and target-ligand combination is showing. image image

  2. In number of H bond plot, The combination that I did not perform MD on is also visible. image

prescienceit commented 2 years ago

Fixed in not visible in new EXE