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r1217
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connections/ 1217 (11 years ago) by jmduarteg: First fully working version (this time hopefully for real...) of interface enumeration. Works for many examples, still there are problems in many others due to area discrepancies with pisa, but those are minor things. The elimination of duplicates is based on chain codes and number of contacting atoms, it is of course possible that 2 different interfaces happen to have the same chain codes and same number of contacting atoms (but unlikely). Would need a more fine grained comparison. New test class to compare automatically to PISA output.
structure/ 1217 (11 years ago) by jmduarteg: First fully working version (this time hopefully for real...) of interface enumeration. Works for many examples, still there are problems in many others due to area discrepancies with pisa, but those are minor things. The elimination of duplicates is based on chain codes and number of contacting atoms, it is of course possible that 2 different interfaces happen to have the same chain codes and same number of contacting atoms (but unlikely). Would need a more fine grained comparison. New test class to compare automatically to PISA output.
runners/ 1211 (11 years ago) by jmduarteg: First implementation of enumeration of interfaces (based on crystal transformations), equivalent to PISA's. This is still a very rough implementation (far too slow) and not totally correct: some of the interfaces are duplicated. Needs more work but still good as a starting point.
util/ 1208 (11 years ago) by cvehlow: Scoring:KendallsTau-method added to Statistics
sequence/ 1172 (11 years ago) by jmduarteg: Now using apache commons logging
features/ 1049 (11 years ago) by hstehr: removing @Override annotations which were causing compilation errors for me
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