google-code-export / nmrrestrntsgrid

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Overlapping residue mapping problem #244

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago
The distances for chain A have two different mappings,
one for the angles, one for the distances.

mapping 1 for dihedral angles, residues 1 - 149
['A', ' ', 1, 7]  

mapping 2 for distances, also residues 1 - 149
 ['A', ' ', 1, 111] - distances

('forceChainMappings': [['A', ' ', 1, 7], ['A', ' ', 1, 111], ['B', '
', 1, 263]],)

When the FC sees dihedral angle residue 112, it uses the, incorrect, second 
mapping rather than 
the first. That means the FC thinks res 104 is res 1.

Original issue reported on code.google.com by schulte....@gmail.com on 2 Mar 2010 at 4:37

GoogleCodeExporter commented 9 years ago
I guess this is a format converter issue

Original comment by schulte....@gmail.com on 2 Mar 2010 at 4:50

GoogleCodeExporter commented 9 years ago
I believe we have accepted before that this can not easily be fixed and only 
occurs in about 0.1% of the entries so 
we decided not to work on it yet.

Original comment by jurge...@gmail.com on 4 Mar 2010 at 2:54