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Functions145 in github.com/CharlesHahn/DuIvy

⨍ Functions 145◇ Types & classes 0
↓ 10 callersFunctionwrite_aminos_log
(line)
sources/other/Dock/average_perAA.py:8
↓ 10 callersFunctionwrite_ligands_log
(line)
sources/other/Dock/average_perAA.py:13
↓ 6 callersFunctionreadxpm
read xpm file and return all infos
sources/xpm_show/xpm_show.py:36
↓ 6 callersFunctionreadxpm
read xpm file and return infos
Articles/20220204-xpm_show/xpm_show.py:37
↓ 6 callersFunctionwrite_logfile
(line)
sources/other/Dock/analysis_deep.py:11
↓ 5 callersFunctionwrite_aminos_log
(line)
sources/other/Dock/analysis_donor_count.py:7
↓ 4 callersFunctionwrite_ligands_log
(line)
sources/other/Dock/analysis_donor_count.py:12
↓ 3 callersFunctionaverage_per_amino
(data)
sources/other/Dock/average_perAA.py:28
↓ 3 callersFunctionaverage_per_ligand
(data)
sources/other/Dock/average_perAA.py:62
↓ 3 callersFunctiondata_dump
(lis_data, filename)
sources/other/Dock/analysis_deep.py:30
↓ 3 callersFunctiondraw_data
(aminos, picturename= "picturename")
sources/other/Dock/average_perAA.py:96
↓ 3 callersFunctiondraw_ligand_data
(ligands, picturename= "picturename")
sources/other/Dock/average_perAA.py:128
↓ 3 callersFunctioneverage_data
(bond_data, bond_name)
sources/other/Dock/analysis_deep.py:244
↓ 3 callersFunctiongetCoor
(gro_file, ring_1_id, ring_2_id)
sources/pipi_dist_ang/pipi_distang_vec.py:83
↓ 3 callersFunctionload_data
(filename)
sources/other/Dock/average_perAA.py:18
↓ 3 callersFunctionxvg_deal
(filename)
sources/energy_compute/energy_compute.py:83
↓ 2 callersFunctioncalcAng_RingVec
(ring_frames, vec_frames)
sources/pipi_dist_ang/pipi_distang_vec.py:216
↓ 2 callersFunctiondealNdx
(ndx_file, select, vg=False)
sources/pipi_dist_ang/pipi_distang_vec.py:127
↓ 2 callersFunctionformat_xvg
(file_input)
sources/xvgformat/xvgformat.py:50
↓ 2 callersFunctionget_scatter_data
convert xpm_infos into scatter data xpm_infos: the return of readxpm()
sources/xpm_show/xpm_show.py:494
↓ 2 callersFunctionget_scatter_data
convert xpm_infos into scatter data
Articles/20220204-xpm_show/xpm_show.py:472
↓ 2 callersFunctionwrite_data
(data_lis)
sources/other/Dock/ligand_pdbFromDlg.py:30
↓ 2 callersFunctionwrite_data
(data_lis)
sources/other/Dock/ligand_pdbFromDlg_split.py:26
↓ 2 callersFunctionwrite_standard
(line, file_output)
sources/xvgformat/xvgformat.py:13
↓ 2 callersFunctionxvg_deal
(filename)
sources/xvg_show/xvg_show.py:76
↓ 2 callersFunctionxvg_deal
(filename)
sources/xvg_show/xvgshow.py:38
↓ 1 callersFunctionMovingAverage
(data, MA)
sources/MovingAverage/xvg_movingaverage.py:23
↓ 1 callersFunctionaverage_per_amino
(data, file_name)
sources/other/Dock/analysis_donor_count.py:27
↓ 1 callersFunctionaverage_per_ligand
(data, filename)
sources/other/Dock/analysis_donor_count.py:73
↓ 1 callersFunctioncalcAng
calculate the angle of normals of two rings
sources/pipi_dist_ang/pipi_dist_ang.py:48
↓ 1 callersFunctioncalcAng
(ring_1_frames, ring_2_frames)
sources/pipi_dist_ang/pipi_distang_vec.py:37
↓ 1 callersFunctioncalcAng
(ring_1_frames, ring_2_frames)
Articles/20211201-计算苯环间距和角度/pipi_dist_ang.py:37
↓ 1 callersFunctioncalcDist
calculate the distance between the center of two ring
sources/pipi_dist_ang/pipi_dist_ang.py:9
↓ 1 callersFunctioncalcDist
(ring_1_frames, ring_2_frames)
sources/pipi_dist_ang/pipi_distang_vec.py:9
↓ 1 callersFunctioncalcDist
(ring_1_frames, ring_2_frames)
Articles/20211201-计算苯环间距和角度/pipi_dist_ang.py:9
↓ 1 callersFunctioncalcVec
(vg_frames)
sources/pipi_dist_ang/pipi_distang_vec.py:251
↓ 1 callersFunctioncols_num_gen
(cols)
sources/energy_compute/energy_compute.py:39
↓ 1 callersFunctioncols_num_gen
(cols)
sources/xvg_show/xvg_show.py:30
↓ 1 callersFunctioncombinexpm
combine xpm by scatters xpm_file_list : a list contains all xpm file names outputpng : the name for figure output noshow: whether not to s
sources/xpm_show/xpm_show.py:579
↓ 1 callersFunctioncombinexpm
combine xpm by scatters
Articles/20220204-xpm_show/xpm_show.py:548
↓ 1 callersFunctiondealNdx
read index file and get atom id
sources/pipi_dist_ang/pipi_dist_ang.py:166
↓ 1 callersFunctiondealNdx
(ndx_file)
Articles/20211201-计算苯环间距和角度/pipi_dist_ang.py:126
↓ 1 callersFunctiondealNdx_single
(ndx_file, select)
sources/pipi_dist_ang/pipi_distang_vec.py:180
↓ 1 callersFunctiondealRingVG
(ndx_file, gro_file, time_b, time_dt, output_file, select)
sources/pipi_dist_ang/pipi_distang_vec.py:315
↓ 1 callersFunctiondealRingVec
(ndx_file, gro_file, time_b, time_dt, output_file, vec, select)
sources/pipi_dist_ang/pipi_distang_vec.py:363
↓ 1 callersFunctiondealTwoRings
(ndx_file, gro_file, time_b, time_dt, output_file, select)
sources/pipi_dist_ang/pipi_distang_vec.py:264
↓ 1 callersFunctiondistinguish
(content, inputfile, outputfile)
sources/other/PCA_FEL/pepend_identify.py:27
↓ 1 callersFunctiondrawxpm_3D
draw xpm 3D figure (with interpolation) xpmfile: input xpm file IP : whether to interpolation outputpng: the name for figure output no
sources/xpm_show/xpm_show.py:388
↓ 1 callersFunctiondrawxpm_3D
draw xpm 3D figure with interpolation
Articles/20220204-xpm_show/xpm_show.py:373
↓ 1 callersFunctiondrawxpm_newIP
draw xpm figure by pcolormesh (with interpolation) xpmfile: input xpm file IP : whether to interpolation outputpng: the name for figure ou
sources/xpm_show/xpm_show.py:309
↓ 1 callersFunctiondrawxpm_newIP
draw xpm figure with interpolation by pcolormesh
Articles/20220204-xpm_show/xpm_show.py:301
↓ 1 callersFunctiondrawxpm_origin
draw xpm figure by plt.imshow xpmfile: input xpm file IP : whether to interpolation outputpng: the name for figure output noshow: whet
sources/xpm_show/xpm_show.py:189
↓ 1 callersFunctiondrawxpm_origin
draw xpm figure
Articles/20220204-xpm_show/xpm_show.py:189
↓ 1 callersFunctionenergy_compute
()
sources/energy_compute/energy_compute.py:130
↓ 1 callersFunctionextract_scatter
extract data from xpm and save to csv
sources/xpm_show/xpm_show.py:542
↓ 1 callersFunctionextract_scatter
extract data from xpm and save to csv
Articles/20220204-xpm_show/xpm_show.py:517
↓ 1 callersFunctionfetch_EFEB
(ligand)
sources/other/Dock/ligand_pdbFromDlg.py:8
↓ 1 callersFunctionfetch_EFEB
(ligand)
sources/other/Dock/ligand_pdbFromDlg_split.py:8
↓ 1 callersFunctionfetch_ki
(ligand)
sources/other/Dock/ligand_pdbFromDlg.py:17
↓ 1 callersFunctionfetch_ki
(ligand)
sources/other/Dock/ligand_pdbFromDlg_split.py:17
↓ 1 callersFunctionfile_cp
()
sources/other/Dock/analysis_deep.py:192
↓ 1 callersFunctionformat_csv
(file_input)
sources/xvgformat/xvgformat.py:100
↓ 1 callersFunctiongetCoor
get che coordinates from gro file
sources/pipi_dist_ang/pipi_dist_ang.py:113
↓ 1 callersFunctiongetCoor
(gro_file, ring_1_id, ring_2_id)
Articles/20211201-计算苯环间距和角度/pipi_dist_ang.py:83
↓ 1 callersFunctiongetdata
(filename)
sources/other/FELmap2.py:27
↓ 1 callersFunctionhex2rgb
(hex_color)
sources/xpm_show/xpm2png.py:11
↓ 1 callersFunctionhex2rgb
(hex_color string)
sources/xpm_show/xpm2png.go:17
↓ 1 callersFunctionhex2rgb
(hex_color string)
sources/dssp/xpm2gpl.go:14
↓ 1 callersFunctionhex2rgb
(hex_color string)
sources/dssp/xpm2gpl/xpm2gpl.go:14
↓ 1 callersFunctionhex2rgb
(hex_color)
sources/other/PCA_FEL/xpm2png.py:11
↓ 1 callersFunctionhex2rgb
(hex_color)
Articles/20210807-xpm2png/xpm2png.py:11
↓ 1 callersFunctionhex2rgb
(hex_color string)
Articles/20210807-xpm2png/xpm2png.go:17
↓ 1 callersFunctionhydrogen_yield
()
sources/other/Dock/analysis_deep.py:21
↓ 1 callersFunctionhydrophobic_yield
()
sources/other/Dock/analysis_deep.py:17
↓ 1 callersFunctionload_data
(filename)
sources/other/Dock/analysis_donor_count.py:17
↓ 1 callersFunctionloadxvg
(file)
sources/xvg_average/xvg_average.py:16
↓ 1 callersFunctionmain
()
sources/xpm_show/xpm2png.py:252
↓ 1 callersFunctionmain
()
sources/xpm_show/xpm_show.py:725
↓ 1 callersFunctionmain
()
sources/xvg_average/xvg_average.py:36
↓ 1 callersFunctionmain
()
sources/pipi_dist_ang/pipi_dist_ang.py:202
↓ 1 callersFunctionmain
()
sources/pipi_dist_ang/pipi_distang_vec.py:410
↓ 1 callersFunctionmain
()
sources/xvg_show/xvg_show.py:119
↓ 1 callersFunctionmain
()
sources/xvg_show/xvgshow.py:82
↓ 1 callersFunctionmain
()
sources/xvgformat/xvgformat.py:116
↓ 1 callersFunctionmain
()
sources/MovingAverage/xvg_movingaverage.py:42
↓ 1 callersFunctionmain
()
sources/other/FELmap2.py:112
↓ 1 callersFunctionmain
()
sources/other/Dock/analysis_deep.py:264
↓ 1 callersFunctionmain
()
sources/other/Dock/ligand_pdbFromDlg.py:54
↓ 1 callersFunctionmain
()
sources/other/Dock/analysis_donor_count.py:111
↓ 1 callersFunctionmain
()
sources/other/Dock/ligand_pdbFromDlg_split.py:50
↓ 1 callersFunctionmain
print("running analysis_deep.py") status = os.system("python analysis_deep.py") print("run analysis_deep.py -> "+ str(status))
sources/other/Dock/average_perAA.py:145
↓ 1 callersFunctionmain
()
sources/other/PCA_FEL/pc_combine.py:7
↓ 1 callersFunctionmain
()
sources/other/PCA_FEL/xpm2png.py:252
↓ 1 callersFunctionmain
()
sources/other/PCA_FEL/pepend_identify.py:63
↓ 1 callersFunctionmain
()
sources/xvg_compare/xvg_compare.py:111
↓ 1 callersFunctionmain
()
sources/xvg_compare/xvgcompare.py:93
↓ 1 callersFunctionmain
()
Articles/20220204-xpm_show/xpm_show.py:694
↓ 1 callersFunctionmain
()
Articles/20210807-xpm2png/xpm2png.py:248
↓ 1 callersFunctionmain
()
Articles/20230412-PLIP绘图/show.py:10
↓ 1 callersFunctionmain
()
Articles/20230412-PLIP绘图/show3.py:10
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