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Opened 113 minutes ago
#19857 assigned defect
Make chirality command return pairs of atom and 'R' or 'S' for chiral centers
| Reported by: | Tom Goddard | Owned by: | Eric Pettersen |
|---|---|---|---|
| Priority: | moderate | Milestone: | |
| Component: | Structure Analysis | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The chirality command currently just returns a list of "R" or "S". It would be useful in Python scripts to know the atoms too. Maybe return [(chiral_atom1, "R"), (chiral_atom2, "S"), ...]. Or a dictionary mapping the atom to the chirality.
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