schrodinger.livedesign.convert module¶
- class schrodinger.livedesign.convert.Format(value)[source]¶
Bases:
enum.Enum
An enumeration.
- SDF = 1¶
- SMILES = 2¶
- CXSMILES = 3¶
- schrodinger.livedesign.convert.convert(data: str, input_format: schrodinger.livedesign.convert.Format, output_format: schrodinger.livedesign.convert.Format) str [source]¶
- Parameters
data – input text string
input_format – expected format for input string
output_format – desired format for output string
- Returns
converted text string
- schrodinger.livedesign.convert.get_sd_reader(molblock: str) rdkit.Chem.rdmolfiles.SDMolSupplier [source]¶
- Parameters
molblock – given SDF molblock
- Returns
iterator through each mol in the given SDF data
- schrodinger.livedesign.convert.sdf_to_rdkit(molblock: str) rdkit.Chem.rdchem.Mol [source]¶
- Parameters
molblock – given SDF molblock
- Returns
corresponding RDKit mol