schrodinger.application.desmond.depictor module¶
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schrodinger.application.desmond.depictor.
singleton
(cls)¶
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schrodinger.application.desmond.depictor.
Depictor
()¶
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schrodinger.application.desmond.depictor.
ct2chmmol
(st)¶ convert mmct to chmmol object
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schrodinger.application.desmond.depictor.
get_aligned_chmmol_from_ct
(ct0, ct1, ma0, ma1, attached_atom0, attached_atom1)¶ generated aligned chmmol pair from ct and SMARTS :type ct0: Structure :param ct0: reference structure :type ct1: Structure :param ct1: structure to be aligned :type smarts0: string :param smarts0: SMARTS pattern for ct0 :type smarts1: string :param smarts1: SMARTS pattern for ct1 :return two ChmMol instances as a tuple
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schrodinger.application.desmond.depictor.
show_attached_hydrogen
(chmmol, attached_atom)¶
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schrodinger.application.desmond.depictor.
align_chmmol
(chmmol0, chmmol1, ma0, ma1, attached_atom0, attached_atom1)¶ generated aligned chmmol pair from ct and SMARTS :type chmmol0: ChmMol :param chmmol0: reference structure :type chmmol1: ChmMol :param chmmol0: structure to be aligned :type smarts0: string :param smarts0: SMARTS pattern for ct0 :type smarts1: string :param smarts1: SMARTS pattern for ct1 :return two ChmMol instances as a tuple