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madscatt / zazzie

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GNU General Public License v3.0
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Fix handling of AltLoc and multiple residues defined for same sequence position #76

Open dww100 opened 6 years ago

dww100 commented 6 years ago

Long running issue dealing with the multiple residues. Current code deals with this by deleting alternate residues and hacking missing AltLoc codes. Should deal with it properly though.

dww100 commented 6 years ago

This is me being an idiot - fix rescode + alt loc handing is the real issue

madscatt commented 6 years ago

Here is a PDB that fails for case 2 (zipped)

324.pdb.zip

dww100 commented 6 years ago

Okay, so the problem with ALtLoc/Rescodes is separate from case 2 it turns out. Will post fix for case 2. This is still an open issue although there is a weird relationship.