Package install :: Package MoSTBioDat :: Package DataBase :: Package SubStructSearch :: Module DB2SmiDict
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Module DB2SmiDict

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  DB2SmiDict
get Ligand.ChemComp table data to id:smile dictionary INPUT: host - string, host to connect user - string, user to connect as passwd - string, password to use db - string, database to use port - integer, TCP/IP port to connect log - boolen, logging flag unix_socket - string, location of unix_socket to use conv - conversion dictionary, see MySQLdb.converters connect_timeout - number of seconds to wait before the connection attempt fails.
  Smi2SmiDict
get id:smile dictionary from smi file INPUT: smifilepath - str, smile file path OUTPUT: class object