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NGPH link broken. Can you clarify input format? #2

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samlobe opened this issue Apr 21, 2023 · 1 comment
Open

NGPH link broken. Can you clarify input format? #2

samlobe opened this issue Apr 21, 2023 · 1 comment

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@samlobe
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samlobe commented Apr 21, 2023

The @ngph and @rngs links in your README.md file are broken.
Can you fix these or clarify the input file format?
I would like to count water rings around my protein [in a computationally efficient way] to relate this to hydrophobicity measurements.

Thanks,
-Sam

@vitroid
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vitroid commented May 6, 2023

Sorry for very slow reply.
CountRings code is refactored and now included in another repository: https://github.com/vitroid/cycless

Here is a short sample code.

import cycless.cycles as cy
import networkx as nx

g = nx.cubical_graph()

for cycle in cy.cycles_iter(g, maxsize=6):
    print(cycle)

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