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Improve CHARMMTopology.create_hierarchy() to assign multi-char chain IDs #1071

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benmwebb opened this issue Nov 9, 2022 · 0 comments
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Improve CHARMMTopology.create_hierarchy() to assign multi-char chain IDs #1071

benmwebb opened this issue Nov 9, 2022 · 0 comments
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benmwebb commented Nov 9, 2022

create_hierarchy() currently just assigns char chain IDs sequentially starting from A, so chain IDs will start to look weird after 26 chains (and eventually the ID will hit chr(255) and then wrap around to chr(0)). Add an option to assign mmCIF-style multicharacter chain IDs if desired (AA, AB, AC, etc.).
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