schrodinger.livedesign.draw module

class schrodinger.livedesign.draw.Format(value)[source]

Bases: enum.Enum

An enumeration.

PNG = 1
SVG = 2
class schrodinger.livedesign.draw.ImageGenOptions(img_format: schrodinger.livedesign.draw.Format = <Format.SVG: 2>, background_color: str = '#ff', width: int = 400, height: int = 400, show_r_s_label: bool = True, aligned_core_mol: Optional[rdkit.Chem.rdchem.Mol] = None, highlight_core_mol: Optional[rdkit.Chem.rdchem.Mol] = None)[source]

Bases: tuple

Parameters

  • img_format – image format to be returned

  • background_color – background color

  • width – width of the image

  • height – height of the image

  • show_r_s_label – whether to label chiral centers

  • aligned_core_mol – molecule to align to prior to image generation

  • highlight_core_mol – substructure to highlight in the generated image

img_format: schrodinger.livedesign.draw.Format

Alias for field number 0

background_color: str

Alias for field number 1

width: int

Alias for field number 2

height: int

Alias for field number 3

show_r_s_label: bool

Alias for field number 4

aligned_core_mol: Optional[rdkit.Chem.rdchem.Mol]

Alias for field number 5

highlight_core_mol: Optional[rdkit.Chem.rdchem.Mol]

Alias for field number 6

__contains__(key, /)

Return key in self.

__len__()

Return len(self).

count(value, /)

Return number of occurrences of value.

index(value, start=0, stop=9223372036854775807, /)

Return first index of value.

Raises ValueError if the value is not present.

schrodinger.livedesign.draw.generate_image(mol: rdkit.Chem.rdchem.Mol, options: Optional[schrodinger.livedesign.draw.ImageGenOptions] = None) → str[source]

Generates an image from an RDKit molecule

Parameters

  • mol – molecule to get image of

  • options – image generation options

Returns

generated image