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Commit e79b2f02 authored by Alexander Rose's avatar Alexander Rose
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added ihm model handling todo

parent 0fb6ed11
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...@@ -166,6 +166,11 @@ function getAsymIdSerialMap(format: mmCIF_Format) { ...@@ -166,6 +166,11 @@ function getAsymIdSerialMap(format: mmCIF_Format) {
return map; return map;
} }
// TODO split IHM data into models as well, atomistic ihm models have `atom_site.ihm_model_id`,
// how to handle it in a generic way, i.e. when there is no ihm data, use `atom_site.pdbx_PDB_model_num`
// but if there is use `atom_site.ihm_model_id`, `ihm_sphere_obj_site.model_id` and
// `ihm_gaussian_obj_site.model_id` for splitting
// - PDBDEV_00000002 is an example for an IHM structure with multiple models
function createModel(format: mmCIF_Format, atom_site: AtomSite, previous?: Model): Model { function createModel(format: mmCIF_Format, atom_site: AtomSite, previous?: Model): Model {
const hierarchyOffsets = findHierarchyOffsets(atom_site); const hierarchyOffsets = findHierarchyOffsets(atom_site);
const hierarchyData = createHierarchyData(atom_site, hierarchyOffsets); const hierarchyData = createHierarchyData(atom_site, hierarchyOffsets);
...@@ -201,7 +206,7 @@ function createModel(format: mmCIF_Format, atom_site: AtomSite, previous?: Model ...@@ -201,7 +206,7 @@ function createModel(format: mmCIF_Format, atom_site: AtomSite, previous?: Model
id: UUID.create(), id: UUID.create(),
label, label,
sourceData: format, sourceData: format,
modelNum: format.data.atom_site.pdbx_PDB_model_num.value(0), modelNum: atom_site.pdbx_PDB_model_num.value(0),
entities, entities,
atomicHierarchy, atomicHierarchy,
sequence: getSequence(format.data, entities, atomicHierarchy, modifiedResidueNameMap), sequence: getSequence(format.data, entities, atomicHierarchy, modifiedResidueNameMap),
......
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