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Change the mol conversion in non-rrf mode to add chain names to ligands. #88

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TJGorrie opened this issue Jul 20, 2021 · 1 comment
Open

Change the mol conversion in non-rrf mode to add chain names to ligands. #88

TJGorrie opened this issue Jul 20, 2021 · 1 comment
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enhancement New feature or request

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@TJGorrie
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This should be fairly easy to do.

Current behaviour creates _0, _1 etc
when the output should be _0A _1A regardless.

Point being we need chain context always.
@TJGorrie TJGorrie added the enhancement New feature or request label Jul 20, 2021
@TJGorrie TJGorrie self-assigned this Jul 20, 2021
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This is extra important...

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