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
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Last change
on this file since da7ef9 was 8990879, checked in by Frederik Heber <heber@…>, 13 years ago |
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FIX: PdbParser - symbol is now parsed and written in capital letters.
- This fixes ticket #146.
- Added regression test to check this behavior.
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set to
100644
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File size:
237 bytes
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| 1 | REMARK created by molecuilder on Sat Apr 30 14:36:53 2011, time step 0
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| 2 | HETATM 1 MN 0MN D1 -14.597 17.527 29.038 1.00 14.84 MN 0
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| 3 | HETATM 2 CA 0CA D1 -14.820 21.125 26.843 1.00 7.52 CA 0
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| 4 | END
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