Candidate_v1.7.0
stable
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Last change
on this file since 399c69 was 5061d9, checked in by Frederik Heber <frederik.heber@…>, 5 years ago |
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Added action to print selected atoms as graph6 string.
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-
Property mode
set to
100644
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File size:
757 bytes
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| 1 | # ATOMDATA Id x=3 u=3 type neighbors=8
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| 2 | # Box 20 0 0 0 20 0 0 0 20
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| 3 | 1 9.894113333 9.853317373 9.994444444 0 0 0 C 2 3 4 8 0 0 0 0
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| 4 | 2 9.532222223 9.34060558 10.8841141 0 0 0 H 1 0 0 0 0 0 0 0
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| 5 | 3 9.523333334 9.336161136 9.102552569 0 0 0 H 1 0 0 0 0 0 0 0
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| 6 | 4 11.31855778 9.855539595 9.998888889 0 0 0 C 1 5 6 7 0 0 0 0
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| 7 | 5 11.70073778 10.96272786 10.00333333 0 0 0 H 4 0 0 0 0 0 0 0
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| 8 | 6 11.70296 9.286389907 9.033528607 0 0 0 H 4 0 0 0 0 0 0 0
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| 9 | 7 11.71851556 9.275278796 10.96869361 0 0 0 H 4 0 0 0 0 0 0 0
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| 10 | 8 9.425224445 11.19210621 10.00333333 0 0 0 C 1 9 10 11 0 0 0 0
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| 11 | 9 10.3554963 11.92875024 10.00777778 0 0 0 H 8 0 0 0 0 0 0 0
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| 12 | 10 8.760109625 11.37293388 10.97313806 0 0 0 H 8 0 0 0 0 0 0 0
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| 13 | 11 8.757887402 11.37293388 9.017973051 0 0 0 H 8 0 0 0 0 0 0 0
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