molwitch implementation using Indigo 1.4
Molwitch - Indigo is still a work in progress, and some features are yet to be implemented. Below is the API Contract Checker result:
| Feature | Compliance Level | Comments |
|---|---|---|
| Extended Tetrahedral | FULLY | |
| Fingerprint | FULLY | |
| fullInchi | FULLY ( 999 ) | |
| fullInchi | NOT_COMPLIANT ( 1 ) | |
| Valence Error | PARTIALLY ( 2 ) | |
| Valence Error | NOT_COMPLIANT ( 1 ) | Pentavalent Carbon Incorrect Valence |
| parse mol wierd parity | FULLY | |
| inchiKey | FULLY ( 999 ) | |
| inchiKey | NOT_COMPLIANT ( 1 ) | |
| Remove Non Descript Hydrogens | NOT_COMPLIANT | |
| Inchi | FULLY | |
| Default Fingerprinter | FULLY | |
| R Group | NOT_COMPLIANT | |
| Mol Parser | FULLY | |
| Create Chemical | PARTIALLY | |
| MolSearcher | NOT_COMPLIANT | |
| Write Mol | PARTIALLY ( 1 ) | |
| Write Mol | NOT_COMPLIANT ( 1 ) | can't write v3000 |
| Problematic Smiles | FULLY | |
| Chemical Source | FULLY | |
| Clone Chemical | FULLY | |
| Atom Alias | PARTIALLY | |
| mol parser unknown format | FULLY | |
| Atom Map | NOT_COMPLIANT | Can't Set Atom Map; Can't Clear Atom Map |
| Tetrahedral | FULLY | |
| Atom Path Traversal | FULLY | |
| Atom Coords | FULLY | |
| Cis/Trans | PARTIALLY |