|
@@ -113,6 +113,9 @@ namespace GroFormat {
|
|
|
}
|
|
|
}
|
|
|
|
|
|
+// TODO reuse static model parts when hierarchy is identical
|
|
|
+// need to pass all gro.structures as one table into createModels
|
|
|
+
|
|
|
export function trajectoryFromGRO(gro: GroFile): Task<Model.Trajectory> {
|
|
|
return Task.create('Parse GRO', async ctx => {
|
|
|
const format = GroFormat.fromGro(gro);
|