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| change_plot_colors(axis,
spines=True,
ticks=True,
labels=True,
polar=False) |
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new_page(Elements)
insert page break |
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add_vtable(Elements,
table,
style,
width_list)
add table, where header is in the first column |
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add_table(Elements,
table,
style,
col_width)
horizontal table, where the header is on the first row |
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add_and_parse_SMILES(smiles_str)
parse SMILES string such that it fits on the page |
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| get_image(fn,
height,
width) |
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| report_add_ms_logo(Elements) |
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| report_add_logo(Elements) |
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| header(Elements,
txt,
style=<ParagraphStyle 'Heading1'>,
klass=<class reportlab.platypus.paragraph.Paragraph at 0x2b331b93c1f0>,
sep=0.3) |
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get_pargph(txt,
fixed=False,
fontsize=11,
color='black',
hAlign='left') |
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pargph(Elements,
txt,
fixed=False,
fontsize=11,
color='black') |
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| generate_ligand_2d_placeholder(filename,
natoms) |
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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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|
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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crop_image(image_in)
get rid of the white background rgb=[255,255,255] |
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convertQimageToImage(qimg)
converts QImage object to PIL Image object, in order to crop |
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aspectScale(ix,
iy,
bx,
by)
Scale image to fit into box (bx,by) keeping aspect ratio |
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| save_2d_annotated_img(structure_item,
filename,
crop=True,
ret_size=False) |
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|
styles = reportlab.lib.styles.getSampleStyleSheet()
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HeaderStyle = <ParagraphStyle 'Heading1'>
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ParaStyle = <ParagraphStyle 'Normal'>
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gray = Color(.53125,.53125,.53125,1)
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colors = ['#75D44A', '#BF58CB', '#D44B33', '#88C7D4', '#3B3628... |
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replica_name = 'ABCDEFGHIJKLMNOPQRSTUVWXYZ' |
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blackColorMap = {5: 4278190080, 7: 4278190080, 8: 4278190080, ... |
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__package__ = 'schrodinger.application.desmond' |