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Published 2 months ago • verified publisher icon dkratzert
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Metadata

A CIF file finalizer for small molecule crystallography with as much automation as possible.

Results 6 FinalCif issues
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Better Support for Squeezed structures

6 comment

* Input form for squeezed void (solvent etc) * check for .fab (ABIN) file * what else?

dkratzert avatar dkratzert

Make a Latex template

dkratzert avatar dkratzert

enhancement

Add loops edit functions

- [ ] Button for "move column" - [ ] Button for "delete column"

dkratzert avatar dkratzert

enhancement
good first issue

Better support for twins

1 comment

- [ ] Description of twinning - [ ] Test more types of twins - [ ] Add twin matrix to the structure report. - [ ] What else?

dkratzert avatar dkratzert

Citations

Add citations to checkcif and validation response to the documentation. Add citations section to documentation for all other software.

dkratzert avatar dkratzert

enhancement
good first issue

Fix "revert changes" in loop edits

revert changes does not work after move up/down

dkratzert avatar dkratzert

bug

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verified publisher icon dkratzert

Metadata

A CIF file finalizer for small molecule crystallography with as much automation as possible.

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