Candidate_v1.6.1
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Last change
on this file was 3f6aac, checked in by Frederik Heber <frederik.heber@…>, 8 years ago |
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Added (Un)selectAtomByName.
- Descriptor for AtomByName was already present.
- TESTS: also added regression test.
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-
Property mode
set to
100644
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File size:
1.2 KB
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| 1 | REMARK created by molecuilder on Fri May 12 22:19:11 2017, time step 0
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| 2 | ATOM 1 C01 0non 01 9.375 10.442 10.000 0.00 0.00 C 0
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| 3 | ATOM 2 C02 0non 01 10.625 9.558 10.000 0.00 0.00 C 0
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| 4 | ATOM 3 H01 0non 01 9.375 11.071 9.110 0.00 0.00 H 0
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| 5 | ATOM 4 H02 0non 01 9.375 11.071 10.890 0.00 0.00 H 0
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| 6 | ATOM 5 H04 0non 01 10.625 8.929 9.110 0.00 0.00 H 0
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| 7 | ATOM 6 H05 0non 01 10.625 8.929 10.890 0.00 0.00 H 0
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| 8 | ATOM 7 H06 0non 01 11.515 10.188 10.000 0.00 0.00 H 0
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| 9 | CONECT 1 2 3 4
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| 10 | CONECT 2 1 5 6 7
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| 11 | CONECT 3 1
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| 12 | CONECT 4 1
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| 13 | CONECT 5 2
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| 14 | CONECT 6 2
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| 15 | CONECT 7 2
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| 16 | END
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