Point to deposited ensembles in DCD format.

Relates ihmwg/IHMCIF#24.
integrativemodeling · May 24, 2017 · 4edca19 · 4edca19
1 parent 76c8bbf
commit 4edca19
Showing 1 changed file with 4 additions and 3 deletions.
diff --git a/scripts/nup84.isd.modeling.withXrayInterface.py b/scripts/nup84.isd.modeling.withXrayInterface.py
@@ -266,9 +266,10 @@
         s = util.read_stat_file(
                            '../outputs/3-xray.after_cluster_on_hub.cluster'
                            '%s.top5.pdb.rmf.score/stat.filtered.out' % cluster)
-        f = IMP.pmi.metadata.FileLocation(
-                path='../outputs/3-xray.after_cluster_on_hub.cluster%s'
-                     '.all.pdbs/clus.%s.pdb.gz' % (cluster, cluster),
+        r = IMP.pmi.metadata.Repository(doi="10.5281/zenodo.580803",
+                     url="https://zenodo.org/record/580803/files/"
+                         "cluster.%s.dcd" % cluster)
+        f = IMP.pmi.metadata.FileLocation(path='.', repo=r,
                 details="All ensemble structures for cluster %s" % cluster)
         c = po._add_simple_ensemble(pp, name="Cluster " + cluster,
                                     num_models=num_models, drmsd=drmsd,