Import and retain space group information #875
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Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
Ensures the Hall number is set correctly Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
Previously, importing a crystal would ignore symmetry Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
ghutchis
changed the title
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This PR will allow "Fill Unit Cell" (a common command) to work automatically if the space group is known. It also makes sure we read / process space groups through CML, PDB, and MMTF formats. |
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Here are the build results |
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This pull request has been mentioned on Avogadro Discussion. There might be relevant details there: https://discuss.avogadro.cc/t/may-2022-development-progress/3836/1 |
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