source: tests/regression/Selection/Atoms/AtomByName/post/ethane-H5_missing.pdb

Candidate_v1.6.1
Last change on this file was 3f6aac, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Added (Un)selectAtomByName.

  • Descriptor for AtomByName was already present.
  • TESTS: also added regression test.
  • Property mode set to 100644
File size: 1.2 KB
RevLine 
[3f6aac]1REMARK created by molecuilder on Fri May 12 22:19:11 2017, time step 0
2ATOM 1 C01 0non 01 9.375 10.442 10.000 0.00 0.00 C 0
3ATOM 2 C02 0non 01 10.625 9.558 10.000 0.00 0.00 C 0
4ATOM 3 H01 0non 01 9.375 11.071 9.110 0.00 0.00 H 0
5ATOM 4 H02 0non 01 9.375 11.071 10.890 0.00 0.00 H 0
6ATOM 5 H04 0non 01 10.625 8.929 9.110 0.00 0.00 H 0
7ATOM 6 H05 0non 01 10.625 8.929 10.890 0.00 0.00 H 0
8ATOM 7 H06 0non 01 11.515 10.188 10.000 0.00 0.00 H 0
9CONECT 1 2 3 4
10CONECT 2 1 5 6 7
11CONECT 3 1
12CONECT 4 1
13CONECT 5 2
14CONECT 6 2
15CONECT 7 2
16END
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