| Update refiner methods and optimizer |
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almost 11 years ago
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| Update Tests for CeSymm static |
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almost 11 years ago
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| Make CeSymm static class |
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almost 11 years ago
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| Update demo because of StructureIdentifier |
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almost 11 years ago
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| Rename Symmetry Refiner |
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almost 11 years ago
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| Merge branch 'master' into cesymm |
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almost 11 years ago
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| Modify CeSymm to return CeSymmResult |
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almost 11 years ago
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| CeSymmResult class to pack all results in a single object |
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almost 11 years ago
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| Fix bug in CeSymmIterative |
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almost 11 years ago
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| Merge pull request #376 from sbliven/fix81_squashed |
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almost 11 years ago
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| Fix bug in SingleRefiner for internal symmetry |
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almost 11 years ago
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| Fix bug in SymmOptimizer |
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almost 11 years ago
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| Merge pull request #379 from edlunde-dnastar/ligand-bond-creation |
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almost 11 years ago
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| Merge branch 'master' into ligand-bond-creation |
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almost 11 years ago
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| Merge pull request #380 from abradle/master |
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almost 11 years ago
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| Fix to handle the case when charge data is not available |
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almost 11 years ago
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| Altered the param to set create charges to true |
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almost 11 years ago
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| Update to allow for atoms to handle per atom charge information. Added new file parsing param -> params.setCreateAtomCharges(true); Updated Atom and AtomImpl to allow for Charge information Created a new class ChargeAdder to add Charges Updated PDBFileParser and MMcifConsumer to add charges if the param is set to true |
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almost 11 years ago
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| Merge branch 'master' into ligand-bond-creation |
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almost 11 years ago
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| Ligands with alt. conf also have bonds created. Unit test updated with 3UCB case. Added additional commenting to public methods. |
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almost 11 years ago
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| Conserve the order of symmetry for non-refined symmetry results |
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almost 11 years ago
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| Change default SS parameter of CeSymm |
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almost 11 years ago
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| Fix bug with recursive altLocs in Groups |
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almost 11 years ago
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| Fix bug where an identifier's toString method differed from getIdentifier |
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almost 11 years ago
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| Switching UserConfiguration to default to mmcif |
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almost 11 years ago
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| Changing many classes to use StructureIdentifier |
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almost 11 years ago
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| Add Structure.get/setStructureIdentifier methods |
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almost 11 years ago
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| Moving SCOP name guessing from AtomCache to StructureName |
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almost 11 years ago
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| Fixing minor test failure |
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almost 11 years ago
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| Merge pull request #373 from edlunde-dnastar/sites-fix |
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almost 11 years ago
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