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Hydrogen bond geometry definitions used in Ludi program
| Hydrogen bonding group | Distance from H to acceptor (Å) | Hydrogen bond angle between H and A–X (°) |
|---|---|---|
| C⩵O | 1.9 | 110–180 |
| NH or OH | 1.9 | 150–180 |
| NH (charged) | 1.8 | 150–180 |
| COO− | 1.8 | 100–140 |
| ⩵N— | 1.9 | 150–180 |
| R-O-R (sp2) | 1.9 | 100–140 |
| R-O-R (sp3) | 1.9 | 90–130 |
