Commit | Date | |
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[r7302]
by
bugman
Added support to the internal PDB structural object for determining connected atoms. This is for when no CONECT records exist. The method __find_bonded_atom() has been renamed to |
2008-09-25 15:52:15 | Tree |
2008-09-25 15:01:30 | Tree | |
2008-09-25 14:59:26 | Tree | |
2008-09-25 14:55:03 | Tree | |
2008-09-25 14:50:22 | Tree | |
2008-09-25 14:45:26 | Tree | |
[r7296]
by
bugman
Added another system test for the calculation of unit XH vectors, but with spin numbers removed. |
2008-09-25 14:42:37 | Tree |
2008-09-25 14:39:11 | Tree | |
2008-09-25 13:57:07 | Tree | |
2008-09-25 13:48:24 | Tree |