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Vina 1.2.5 Results Not Fully Displayed in PyMOL_3.0 #370

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Kephas24 opened this issue Dec 20, 2024 · 2 comments
Open

Vina 1.2.5 Results Not Fully Displayed in PyMOL_3.0 #370

Kephas24 opened this issue Dec 20, 2024 · 2 comments

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@Kephas24
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Kephas24 commented Dec 20, 2024

Dear Dr. St. Mart,
My name is Kephas, I have been utilizing AutoDock Vina for my studies and have encountered an issue that I hope you can shed some light on, given your expertise in PyMOL and computational structural biology.
I am specifically comparing results obtained from AutoDock Vina versions 1.1.2 and 1.2.5. When visualizing the docking results from Vina 1.1.2 in PyMOL, I am able to successfully view all twenty predicted poses/modes. However, when attempting to visualize results from Vina 1.2.5 using the same procedure, I encounter a problem where PyMOL does not display all the resulting poses.
I have ensured that the output files from both versions are generated with the same configuration parameters (other than those inherent to the version differences, if any).
I would be incredibly grateful if you could offer any insights or suggestions on how to resolve this issue.

Sincerely,
Kephas

@Kephas24
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@Kephas24
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There are some NA in the reults! If I remove them, the results become normal; where does the problem lie, and how can I solve it?

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