Action_Thermostats
Add_AtomRandomPerturbation
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChangeBugEmailaddress
ChemicalSpaceEvaluator
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_oldresults
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
|
Last change
on this file since da7ef9 was f63e41, checked in by Frederik Heber <heber@…>, 12 years ago |
|
Added Actions to add and remove a bond in between two atoms.
- added new menu "bond".
- added new CommandLineParser options "bond".
- added new regression test folder "bond".
- also added regression tests with undo/redo for the new actions.
|
-
Property mode
set to
100644
|
|
File size:
480 bytes
|
| Line | |
|---|
| 1 | REMARK created by molecuilder on Thu Apr 12 18:16:56 2012, time step 0
|
|---|
| 2 | ATOM 1 O01 0non 01 0.000 0.000 0.000 0.00 0.00 O 0
|
|---|
| 3 | ATOM 2 H01 0wat 01 0.759 0.000 0.504 0.00 0.00 H 0
|
|---|
| 4 | ATOM 3 H02 0non 01 0.759 0.000 -0.504 0.00 0.00 H 0
|
|---|
| 5 | CONECT 1 3
|
|---|
| 6 | CONECT 3 1
|
|---|
| 7 | END
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
