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Revision: 1217
Committed: Tue Aug 31 17:11:30 2010 UTC (10 years, 1 month ago) by jmduarteg
File size: 39 byte(s)
Log Message:
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.
Line File contents
1 7ODC
2 2XMT
3 1WB4
4 1D2S
5 1WVF
6 1W0N
7 1FB6
8 1OEW


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