MDL File format Reader and Writer.
Namespace:
Hyleos.Chemistry.IO| MDL tag | Compatibility |
|---|---|
| M CHG (charge) | True |
| M ISO (isotope) | True |
| M RAD (radical) | True |
| M RGP (Rgroup Label) | True |
| M ALS (Rgroup Label) | True |
| M STY (Sgroup Type) | True |
| M SST (Sgroup SubType) | True |
| M SLB (Sgroup Label) | True |
| M SNC (Sgroup Component Numbers) | True |
| M SCN (Sgroup Connectivity) | True |
| M SAL (Sgroup Atom list) | True |
| M SBL (Sgroup Bond list) | True |
| M SDI (Sgroup Display Info) | True |
| M SMT (Sgroup SubScript) | True |
| M SBV | True |
Assembly: Hyleos.Chemistry (in Hyleos.Chemistry.dll) Version: 1.0.9.4 (1.0.9.4)
Syntax
| C# |
|---|
public sealed class MDL |
| Visual Basic (Declaration) |
|---|
Public NotInheritable Class MDL |
| Visual C++ |
|---|
public ref class MDL sealed |
Remarks
- Function MDL.ReadMolFromStream(molecule, reader) call Analyse()()() automatically.
- Output Stream functions enforced en-US environnement settings.
- Actually only some query features are recognized like : Atom List, RGroup, * (Any atom)
