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core/ 1577 (9 years ago) by jmduarteg: Important change in interface calculation: - another massive gain in run-time and memory usage: we first use the bounding boxes translations to see if it is worth translating the whole unit cells - thanks to that we now go to 2nd neighbors! (still performance is better than before with only 1st neighbors!). With that we fixed the long-standing bug by which we miss interfaces beyond the 1st neighbor - included a few examples of 2nd neighbor problem in test - re-done the symmetry redundancy elimination, it is there but it has a very little effect on overall performance. Now we only don't use an operator when we are very sure its partner was in the right place. In effect we could get rid of it because it wouldn't really affect the performance, we rather keep it as it is good to remember that there is a lot of symmetry redundancy 1565 (9 years ago) by jmduarteg: Fixing some tests to use cif file repo instead of pdbase
owl_test_paths.dat 1030 (12 years ago) by jmduarteg: Extracted constants to owl_test_paths.dat and added CASP7 fasta files to resources dir. Now BlastParsersTest should be able to run anywhere.
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