Action_Thermostats
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
EmpiricalPotential_contain_HomologyGraph_documentation
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
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
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
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Last change
on this file since 3f6aac was ceaab1, checked in by Frederik Heber <heber@…>, 9 years ago |
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AddAtom now adds a molecule (atom always associated with a molecule).
- also by default, constructs a new molecule if none has been selected.
- we missed changing the atom id on redo (new ones have different ids) and
especially now telling the associated molecule about it. This is changed
with a new molecule::changeAtomId().
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-
Property mode
set to
100644
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File size:
143 bytes
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| 1 | REMARK created by molecuilder on Wed Feb 2 18:06:07 2011
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| 2 | ATOM 1 H01 0non 01 10.000 10.000 10.000 0.00 0.00 H 0
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| 3 | END
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