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Consolidate duplicated code #11

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benmwebb opened this issue May 16, 2020 · 1 comment
Open

Consolidate duplicated code #11

benmwebb opened this issue May 16, 2020 · 1 comment
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@benmwebb
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e.g. get_particles_from_superposed_amb is largely cut-and-paste from get_particles_from_superposed; the two functions should be consolidated.

@shruthivis
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Confirmed that the pairwise calculator in pyRMSD can account for symmetric groups. So removed duplicated code. The other duplication is in rmsd_calculation.py (get_rmfs_coordinates_one_rmf and get_rmfs_coordinates). The latter is not supported any longer but retained for legacy reasons e.g. to support the actin tutorial. It may be removed in future versions of sampcon.

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