schrodinger.application.desmond.report_helper module

schrodinger.application.desmond.report_helper.replica_name(n)

schrodinger.application.desmond.report_helper.change_plot_colors(axis, spines=True, ticks=True, labels=True, polar=False, label_size=8, color='#888888')

schrodinger.application.desmond.report_helper.load_gui()

schrodinger.application.desmond.report_helper.generate_ligand_2d_placeholder(filename, natoms)

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.

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

schrodinger.application.desmond.report_helper.crop_image(image_in)

get rid of the white background rgb=[255,255,255]

schrodinger.application.desmond.report_helper.convertQimageToImage(qimg)

converts QImage object to PIL Image object, in order to crop

schrodinger.application.desmond.report_helper.get_qcolor(hex_color)

schrodinger.application.desmond.report_helper.save_2d_annotated_img(structure_item, filename, crop=True, ret_size=False)