schrodinger.application.desmond.report_helper module¶
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schrodinger.application.desmond.report_helper.
replica_name
(n)¶
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schrodinger.application.desmond.report_helper.
change_plot_colors
(axis, spines=True, ticks=True, labels=True, polar=False)¶
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schrodinger.application.desmond.report_helper.
load_gui
()¶
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schrodinger.application.desmond.report_helper.
new_page
(Elements)¶ insert page break
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schrodinger.application.desmond.report_helper.
add_vtable
(Elements, table, style, width_list)¶ add table, where header is in the first column
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schrodinger.application.desmond.report_helper.
add_table
(Elements, table, style, col_width)¶ horizontal table, where the header is on the first row
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schrodinger.application.desmond.report_helper.
add_and_parse_SMILES
(smiles_str)¶ parse SMILES string such that it fits on the page
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schrodinger.application.desmond.report_helper.
add_spacer
(Elements)¶
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schrodinger.application.desmond.report_helper.
get_image
(fn, height, width)¶
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schrodinger.application.desmond.report_helper.
report_add_ms_logo
(Elements)¶
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schrodinger.application.desmond.report_helper.
report_add_logo
(Elements)¶
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schrodinger.application.desmond.report_helper.
header
(Elements, txt, style=<ParagraphStyle 'Heading1'>, klass=<class 'reportlab.platypus.paragraph.Paragraph'>, sep=0.3)¶
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schrodinger.application.desmond.report_helper.
get_pargph
(txt, fixed=False, fontsize=11, color='black', hAlign='left')¶
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schrodinger.application.desmond.report_helper.
pargph
(Elements, txt, fixed=False, fontsize=11, color='black')¶
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schrodinger.application.desmond.report_helper.
generate_ligand_2d_placeholder
(filename, natoms)¶
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schrodinger.application.desmond.report_helper.
generate_aligned_2d_ligand_pair
(fn_list, ct1, ct2, aligned_core)¶ Given two ligands, try to generate a 2d-plot where they’re aligned.
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schrodinger.application.desmond.report_helper.
generate_ligand_2d_image
(filename, ligand_st=None, scene=None, crop=True, ret_size=False)¶ given a scene, or a ligand st, output the 2d image
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schrodinger.application.desmond.report_helper.
crop_image
(image_in)¶ get rid of the white background rgb=[255,255,255]
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schrodinger.application.desmond.report_helper.
convertQimageToImage
(qimg)¶ converts QImage object to PIL Image object, in order to crop
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schrodinger.application.desmond.report_helper.
aspectScale
(ix, iy, bx, by)¶ Scale image to fit into box (bx,by) keeping aspect ratio
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schrodinger.application.desmond.report_helper.
get_qcolor
(hex_color)¶
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schrodinger.application.desmond.report_helper.
save_2d_annotated_img
(structure_item, filename, crop=True, ret_size=False)¶