source: data/molecules@ 4464ef

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_ChronosMutex Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion GeometryObjects Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo StoppableMakroAction Subpackage_levmar Subpackage_vmg ThirdParty_MPQC_rebuilt_buildsystem TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Name Size Rev Age Author Last Change
../
water.pdb 561 bytes ​ fae816   12 years FrederikHeber FIX: Water molecule in data/molecules had wrong bond angle.
tmv_periodic_tube.pdb 9.2 MB ​ 936a02   13 years FrederikHeber Creating data dir for bondtables, databases, and molecules. - Moved …
tmv_periodic_segment.pdb 378.6 KB ​ 936a02   13 years FrederikHeber Creating data dir for bondtables, databases, and molecules. - Moved …
testosterone.pdb 3.5 KB ​ 936a02   13 years FrederikHeber Creating data dir for bondtables, databases, and molecules. - Moved …
propene.pdb 1.3 KB ​ 936a02   13 years FrederikHeber Creating data dir for bondtables, databases, and molecules. - Moved …
portlandite.pdb 44.5 KB ​ 936a02   13 years FrederikHeber Creating data dir for bondtables, databases, and molecules. - Moved …
oxirane.pdb 735 bytes ​ 936a02   13 years FrederikHeber Creating data dir for bondtables, databases, and molecules. - Moved …
bpti.pdb 76.0 KB ​ 936a02   13 years FrederikHeber Creating data dir for bondtables, databases, and molecules. - Moved …
ATPase.pdb 597.4 KB ​ 936a02   13 years FrederikHeber Creating data dir for bondtables, databases, and molecules. - Moved …
AntifreezeProtein.pdb 52.0 KB ​ 936a02   13 years FrederikHeber Creating data dir for bondtables, databases, and molecules. - Moved …
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