Package MolKit :: Package pdb2pqr :: Package pdb2pka :: Package ligandclean :: Module trial_templates
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Module trial_templates

source code

Variables [hide private]
  templates = {'IDD594': {'C': {'sybylType': 'C.2', 'neighbours': ...

Variables Details [hide private]

templates

None
Value:
{'AceticAcid': {'C': {'alreadyvisited': False,
                      'neighbours': ['O1', 'O2', 'C40'],
                      'sybylType': 'C.2'},
                'C40': {'alreadyvisited': False,
                        'neighbours': ['C'],
                        'sybylType': 'C.3'},
                'O1': {'alreadyvisited': False,
                       'neighbours': ['C'],
...