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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=HeaderStyle,
klass=platypus.Paragraph,
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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styles = reportlab.lib.styles.getSampleStyleSheet()
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HeaderStyle = styles ["Heading1"]
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ParaStyle = styles ["Normal"]
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gray = rlcolors.Color(136./ 256, 136./ 256, 136./ 256)
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colors = ["#75D44A", "#BF58CB", "#D44B33", "#88C7D4", "#3B3628...
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replica_name = 'ABCDEFGHIJKLMNOPQRSTUVWXYZ'
|