From e79b2f021b96a7ed083cda571bb4b5b7b7a6a8ea Mon Sep 17 00:00:00 2001
From: Alexander Rose <alex.rose@rcsb.org>
Date: Tue, 26 Jun 2018 20:16:21 -0700
Subject: [PATCH] added ihm model handling todo
---
src/mol-model/structure/model/formats/mmcif.ts | 7 ++++++-
1 file changed, 6 insertions(+), 1 deletion(-)
diff --git a/src/mol-model/structure/model/formats/mmcif.ts b/src/mol-model/structure/model/formats/mmcif.ts
index 6bb1c3566..81db62331 100644
--- a/src/mol-model/structure/model/formats/mmcif.ts
+++ b/src/mol-model/structure/model/formats/mmcif.ts
@@ -166,6 +166,11 @@ function getAsymIdSerialMap(format: mmCIF_Format) {
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 {
const hierarchyOffsets = findHierarchyOffsets(atom_site);
const hierarchyData = createHierarchyData(atom_site, hierarchyOffsets);
@@ -201,7 +206,7 @@ function createModel(format: mmCIF_Format, atom_site: AtomSite, previous?: Model
id: UUID.create(),
label,
sourceData: format,
- modelNum: format.data.atom_site.pdbx_PDB_model_num.value(0),
+ modelNum: atom_site.pdbx_PDB_model_num.value(0),
entities,
atomicHierarchy,
sequence: getSequence(format.data, entities, atomicHierarchy, modifiedResidueNameMap),
--
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