Daniel Kratzert
Daniel Kratzert
Is it that what you are searching for? [https://github.com/pybind/pybind11/pull/2730/commits/53da968ee6774a11273955cfb1821c91b72d35fe](https://github.com/pybind/pybind11/pull/2730/commits/53da968ee6774a11273955cfb1821c91b72d35fe) It is in version 2.7.0
Sorry for the delay! I hope to have time for it soon.
Hi Tyler, do you have some example structures? I close to never used squeeze myself.
Note to myself: See mail at 05.10.2022
- [ ] Add support for _shelx_fab_file and _shelx_fab_checksum.
Add support for olex mask: ``` _smtbx_masks_special_details ? loop_ _smtbx_masks_void_nr _smtbx_masks_void_average_x _smtbx_masks_void_average_y _smtbx_masks_void_average_z _smtbx_masks_void_volume _smtbx_masks_void_count_electrons _smtbx_masks_void_content 1 0.000 -0.565 -0.582 471.7 165.7 '16 H2O' 2 0.500 -0.299 -0.461 471.7 165.7...
https://www.iucr.org/__data/iucr/cifdic_html/1/cif_twinning.dic/Ctwin.html I should add a twin editor similar to the author editor. Not sure if I handle all cases or the most common. FinalCif should at least collect the twin...