source: tests/regression/Bond/SetDegree/pre/test_multiple_fail.pdb@ d24ef58

Action_Thermostats Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision
Last change on this file since d24ef58 was 2d1280, checked in by Frederik Heber <heber@…>, 8 years ago

Added BondSetDegreeAction for manipulating bond degrees.
  • Property mode set to 100644
File size: 804 bytes
Line 
1REMARK created by molecuilder on Sat Oct 1 19:45:55 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 10.00 5.000 5.000 0.00 0.00 C 0
5ATOM 4 C04 0tes 01 10.00 5.000 6.400 0.00 0.00 C 0
6ATOM 5 C05 0tes 01 15.00 5.000 5.000 0.00 0.00 C 0
7CONECT 1 2
8CONECT 2 1
9CONECT 3 4
10CONECT 4 3
11END
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