source: tests/regression/Bond/SetDegree/post/test_multiple.pdb@ 90ece9

AutomationFragmentation_failures Candidate_v1.6.1 Candidate_v1.7.0 ChemicalSpaceEvaluator Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity PythonUI_with_named_parameters StoppableMakroAction TremoloParser_IncreasedPrecision stable
Last change on this file since 90ece9 was 2d1280, checked in by Frederik Heber <heber@…>, 9 years ago

Added BondSetDegreeAction for manipulating bond degrees.
  • Property mode set to 100644
File size: 561 bytes
Line 
1REMARK created by molecuilder on Wed Jan 28 21:45:49 2015, time step 0
2ATOM 1 H01 0non 01 0.000 0.000 0.000 0.00 0.00 O 0
3ATOM 2 H01 0wat 01 0.759 0.000 0.504 0.00 0.00 H 0
4ATOM 3 H02 0non 01 0.759 0.000 -0.504 0.00 0.00 H 0
5CONECT 1 2 3
6CONECT 2 1 3
7CONECT 3 1 2
8END
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