source: tests/regression/Bond/SetDegree/post/test_multiple_degree2.pdb@ 1ca493a

Candidate_v1.7.0 stable
Last change on this file since 1ca493a was 2d1280, checked in by Frederik Heber <heber@…>, 9 years ago

Added BondSetDegreeAction for manipulating bond degrees.
  • Property mode set to 100644
File size: 2.0 KB
Line 
1REMARK created by molecuilder on Sat Oct 1 19:58:03 2016, time step 0
2ATOM 1 C01 0tes 01 5.000 5.000 5.000 0.00 0.00 C 0
3ATOM 2 C02 0tes 01 5.000 5.000 6.400 0.00 0.00 C 0
4ATOM 3 C03 0tes 01 10.000 5.000 5.000 0.00 0.00 C 0
5ATOM 4 C04 0tes 01 10.000 5.000 6.400 0.00 0.00 C 0
6ATOM 5 H01 0tes 01 4.438 4.205 4.311 0.00 0.00 H 0
7ATOM 6 H02 0tes 01 5.562 5.795 4.311 0.00 0.00 H 0
8ATOM 7 H03 0tes 01 5.562 5.795 7.089 0.00 0.00 H 0
9ATOM 8 H04 0tes 01 4.438 4.205 7.089 0.00 0.00 H 0
10ATOM 9 H05 0tes 01 9.438 4.205 4.311 0.00 0.00 H 0
11ATOM 10 H06 0tes 01 10.562 5.795 4.311 0.00 0.00 H 0
12ATOM 11 H07 0tes 01 10.562 5.795 7.089 0.00 0.00 H 0
13ATOM 12 H08 0tes 01 9.438 4.205 7.089 0.00 0.00 H 0
14CONECT 1 2 5 6
15CONECT 2 1 7 8
16CONECT 3 4 9 10
17CONECT 4 3 11 12
18CONECT 5 1
19CONECT 6 1
20CONECT 7 2
21CONECT 8 2
22CONECT 9 3
23CONECT 10 3
24CONECT 11 4
25CONECT 12 4
26END
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