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Author: jmduarteg
Date: Tue Oct 15 10:02:42 2013 UTC (6 years ago)
Log Message:
Important change: now interface search goes up to 6th shell of neighbouring cells. This solves bug CRK-101 where no interfaces were found for 1was. It also solves the case of many PDB entries that need 3rd shell (e.g. 24 entries in a test of ~2000 pdbs) and rare but occurring cases that need 5th shell (e.g. 2 entries in test of ~2000 pdbs). It seems that PISA uses 3rd shell and thus they miss interfaces occurring at >3 neighbours. Tested that this doesn't add any overhead at all to the runtime (the overlap check is very fast).

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