There seems to be an issue with "jed flip" ing a ligand with an alt-conf

moorhen-coot / Moorhen

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There seems to be an issue with "jed flip" ing a ligand with an alt-conf #6

Closed FilomenoSanchez closed 9 months ago

FilomenoSanchez commented 1 year ago

There seems to be an issue with "jed flip" ing a residue which one has split into an alternate conformer. Simple to reproduce ("Get monomer" (NUT) -> Make alternate conformation->Jed-flip). At first I hoped it was just because we were not adding the alternate conformer ID into the atom CID given to the command, but I have now pushed a change that addresses that scenario, and the atom spec now includes the alternate conf

pemsley commented 9 months ago

Fixed in https://github.com/pemsley/coot/commit/25b23f94c4639f25b6a2f77a57fb147e6c70cc90.

Please test at your end.

FilomenoSanchez commented 9 months ago

Confirmed, closing now.