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Determine degrees of freedom in range of acceptance #1

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NoxelS opened this issue Feb 26, 2024 · 1 comment
Closed

Determine degrees of freedom in range of acceptance #1

NoxelS opened this issue Feb 26, 2024 · 1 comment
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NoxelS commented Feb 26, 2024

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@NoxelS NoxelS self-assigned this Feb 26, 2024
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NoxelS commented Feb 26, 2024

Memdof

Input

As input, we have a bunch of single lipid membranes as multiple pdb files.
There should be a function to run this for a single pdb file or multiple at once.

Output

A structure that contains statistics for each possible degree of freedom of the lipid to determine what DOF can be viewed as constant over the membrane data.

Utility

Should also produce statistical plots if specified.

@NoxelS NoxelS closed this as completed Apr 11, 2024
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