source: data/molecules@ 37fe17

Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters StoppableMakroAction TremoloParser_IncreasedPrecision
Name Size Rev Age Author Last Change
../
AntifreezeProtein.pdb 52.0 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 …
bpti.pdb 76.0 KB ​ 936a02   13 years FrederikHeber Creating data dir for bondtables, databases, and molecules. - Moved …
methane.pdb 886 bytes ​ 37fe17   7 years frederik.heber TESTS: Added MD tests on methane, ethane, and water-filled system.
oxirane.pdb 735 bytes ​ 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 …
propene.pdb 1.3 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 …
tmv_periodic_segment.pdb 378.6 KB ​ 936a02   13 years FrederikHeber Creating data dir for bondtables, databases, and molecules. - Moved …
tmv_periodic_tube.pdb 9.2 MB ​ 936a02   13 years FrederikHeber Creating data dir for bondtables, databases, and molecules. - Moved …
water.pdb 561 bytes ​ fae816   12 years FrederikHeber FIX: Water molecule in data/molecules had wrong bond angle.
  • Property mode set to 040000
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