File | Last Change |
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../ | |
BoundsSmoother.java | 799 (11 years ago) by duarte: Fixed in BoundsSmoother: now the lower bound will be set to the triangle inequality value only if the newly found lower bound is bigger than the hard spheres bound. Now we also introduce contiguous CA distance constraints (3.8) In main now checking for violations to the full bounds matrix. New method in Pdb for getting distance matrix as Jama object |
Embedder.java | 799 (11 years ago) by duarte: Fixed in BoundsSmoother: now the lower bound will be set to the triangle inequality value only if the newly found lower bound is bigger than the hard spheres bound. Now we also introduce contiguous CA distance constraints (3.8) In main now checking for violations to the full bounds matrix. New method in Pdb for getting distance matrix as Jama object |