madscatt / zazzie

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PDBScan failure: "Chain_Info_Reconciler instance": Case 2 #95

Open madscatt opened 6 years ago

madscatt commented 6 years ago

301 test PDB files fail with this "case 2" message:

An example PDB is 324.pdb for this case.

File "/share/apps/local/anacondaz/lib/python2.7/sitepackages/sassie/build/pdbscan/pdbscan/reconcile.py", line 289, in update_coord_missing

It is thought that this is a problem with how AltLoc entries are processed.

We need to add more logging information to track down the ATOM/HETATM records that are the first failure to proceed.

This is possibly related to issue #76

dww100 commented 6 years ago

76 is unrelated