Geometry operations#359
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Elena-kal
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Apr 22, 2026
jorisfu
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Apr 27, 2026
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Looks generally good as a starting point for the upcoming stuff, wouldn't merge yet though as we have not finally decided on how we do the 3D stuff
| :param residue_range: inclusive residue interval as [start, end] | ||
| :param chain_id: optional chain identifier. If given, the function will filter by | ||
| _atom_site.label_asym_id or _atom_site.auth_asym_id when available. | ||
| :return: array of n points und x, y, z coordinates. (n, 3) |
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| :return: array of n points und x, y, z coordinates. (n, 3) | |
| :return: array of n points and x, y, z coordinates. (n, 3) |
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Description
Introduces new geometric functions:
extract_points_from_cif: extracts the atom coordinates for a given residue rangebuild_convex_hull: builds a 3D convex hull meshmeshes_intersect: checks whether two triangle meshes intersectmeshes_distance: calculates the minimum Euclidean distance between two triangle meshesChanges
Added new librarys trimesh 4.11.5 and python-fc 0.7.0.11.
Added
geometry_operations.py.PR checklist
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Mergeability
blackpnpm formatand checked withpnpm lintCode review