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r1217
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data/ 1217 (9 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.
AminoAcidTest.java 1008 (10 years ago) by hstehr: refactoring: adapting test packages to match new package structure
PdbTest.java 1029 (10 years ago) by jmduarteg: Fixed hard-coded resources paths broken since major restructuring of project.
PdbParsersTest.java 1181 (9 years ago) by jmduarteg: Now parsing the unit cell and crystal space group info when reading PDB sources. New simple script for unit cell volume.
PdbAsymUnitTest.java 1217 (9 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.
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