source: tests/regression/Parser/Pdb@ 5fa2ba

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
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post 5fa2ba   13 years FrederikHeber Enhanced PdbParser to read ill-formed pdbs. - conect entries may now …
pre 5fa2ba   13 years FrederikHeber Enhanced PdbParser to read ill-formed pdbs. - conect entries may now …
testsuite-parser-pdb-capital_letters_element.at 541 bytes ​ 8990879   13 years FrederikHeber FIX: PdbParser - symbol is now parsed and written in capital letters. …
testsuite-parser-pdb-CONECTs_empty_space.at 548 bytes ​ 473237   13 years FrederikHeber FIX: PdbParser - CONECTs with full 80 chars were not parsed correctly. …
testsuite-parser-pdb-empty.at 239 bytes ​ 718542   13 years FrederikHeber Filled action's token as keyword in each test. - also all keywords …
testsuite-parser-pdb-load-various.at 427 bytes ​ 5fa2ba   13 years FrederikHeber Enhanced PdbParser to read ill-formed pdbs. - conect entries may now …
testsuite-parser-pdb-load.at 1.2 KB ​ 7db9bd   13 years FrederikHeber DISTCHECKFIX: Replaced AUTOTEST_PATH by real path (e.g. …
testsuite-parser-pdb-multiple-timesteps.at 2.3 KB ​ 7db9bd   13 years FrederikHeber DISTCHECKFIX: Replaced AUTOTEST_PATH by real path (e.g. …
testsuite-parser-pdb-save.at 376 bytes ​ 7db9bd   13 years FrederikHeber DISTCHECKFIX: Replaced AUTOTEST_PATH by real path (e.g. …
testsuite-parser-pdb-with-conects.at 1.3 KB ​ 473237   13 years FrederikHeber FIX: PdbParser - CONECTs with full 80 chars were not parsed correctly. …
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