--- /srv/rebuilderd/tmp/rebuilderdmNXBfa/inputs/python-mdanalysis-doc_2.9.0-12_all.deb +++ /srv/rebuilderd/tmp/rebuilderdmNXBfa/out/python-mdanalysis-doc_2.9.0-12_all.deb ├── file list │ @@ -1,3 +1,3 @@ │ -rw-r--r-- 0 0 0 4 2025-07-10 09:07:57.000000 debian-binary │ --rw-r--r-- 0 0 0 14048 2025-07-10 09:07:57.000000 control.tar.xz │ --rw-r--r-- 0 0 0 3490056 2025-07-10 09:07:57.000000 data.tar.xz │ +-rw-r--r-- 0 0 0 14052 2025-07-10 09:07:57.000000 control.tar.xz │ +-rw-r--r-- 0 0 0 3489948 2025-07-10 09:07:57.000000 data.tar.xz ├── control.tar.xz │ ├── control.tar │ │ ├── ./md5sums │ │ │ ├── ./md5sums │ │ │ │┄ Files differ ├── data.tar.xz │ ├── data.tar │ │ ├── ./usr/share/doc/python-mdanalysis-doc/html/documentation_pages/analysis/wbridge_analysis.html │ │ │ @@ -906,23 +906,23 @@ │ │ │

Deprecated since version 2.0.0: Will be removed in MDAnalysis 3.0.0. Please use │ │ │ results.timeseries instead.

│ │ │ │ │ │ │ │ │ │ │ │
│ │ │
│ │ │ -DEFAULT_ACCEPTORS = {'CHARMM27': ('OE1', 'OC1', 'OE2', 'SG', 'OH', 'ND1', 'NE2', 'SD', 'OD1', 'OC2', 'OH2', 'OW', 'OG1', 'O', 'OD2', 'OG'), 'GLYCAM06': ('NT', 'OY', 'O', 'OS', 'N', 'OW', 'OH', 'O2', 'SM'), 'other': ()}
│ │ │ +DEFAULT_ACCEPTORS = {'CHARMM27': ('OG1', 'OC1', 'OH2', 'NE2', 'SG', 'OH', 'OG', 'SD', 'OD1', 'O', 'OC2', 'OD2', 'ND1', 'OW', 'OE2', 'OE1'), 'GLYCAM06': ('O', 'SM', 'OY', 'O2', 'OH', 'OW', 'N', 'NT', 'OS'), 'other': ()} │ │ │

default atom names that are treated as hydrogen acceptors │ │ │ (see Default heavy atom names for CHARMM27 force field.); │ │ │ use the keyword acceptors to add a list of additional acceptor names.

│ │ │
│ │ │ │ │ │
│ │ │
│ │ │ -DEFAULT_DONORS = {'CHARMM27': ('NH2', 'NE1', 'NE2', 'ND2', 'OH2', 'N', 'OH', 'NZ', 'OW', 'SG', 'OG1', 'NE', 'NH1', 'ND1', 'OG'), 'GLYCAM06': ('N', 'N3', 'OW', 'NT', 'OH'), 'other': ()}
│ │ │ +DEFAULT_DONORS = {'CHARMM27': ('OG1', 'NH2', 'ND2', 'OH2', 'NE2', 'NH1', 'SG', 'NE1', 'NZ', 'ND1', 'OW', 'OH', 'N', 'NE', 'OG'), 'GLYCAM06': ('OH', 'OW', 'N', 'NT', 'N3'), 'other': ()} │ │ │

default heavy atom names whose hydrogens are treated as donors │ │ │ (see Default heavy atom names for CHARMM27 force field.); │ │ │ use the keyword donors to add a list of additional donor names.

│ │ │
│ │ │ │ │ │
│ │ │
│ │ │ ├── html2text {} │ │ │ │ @@ -554,24 +554,24 @@ │ │ │ │ List of hydrogen bonds between the selection 1 or selection 2 and │ │ │ │ the bridging waters, for each frame. │ │ │ │ Added in version 2.0.0. │ │ │ │ timeseries_¶ │ │ │ │ Alias to the _r_e_s_u_l_t_s_._t_i_m_e_s_e_r_i_e_s attribute. │ │ │ │ Deprecated since version 2.0.0: Will be removed in MDAnalysis │ │ │ │ 3.0.0. Please use _r_e_s_u_l_t_s_._t_i_m_e_s_e_r_i_e_s instead. │ │ │ │ - DEFAULT_ACCEPTORS == {{''CCHHAARRMMMM2277'':: ((''OOEE11'',, ''OOCC11'',, ''OOEE22'',, ''SSGG'',, ''OOHH'',, │ │ │ │ - ''NNDD11'',, ''NNEE22'',, ''SSDD'',, ''OODD11'',, ''OOCC22'',, ''OOHH22'',, ''OOWW'',, ''OOGG11'',, ''OO'',, ''OODD22'',, │ │ │ │ - ''OOGG'')),, ''GGLLYYCCAAMM0066'':: ((''NNTT'',, ''OOYY'',, ''OO'',, ''OOSS'',, ''NN'',, ''OOWW'',, ''OOHH'',, ''OO22'',, │ │ │ │ - ''SSMM'')),, ''ootthheerr'':: (())}}_¶ │ │ │ │ + DEFAULT_ACCEPTORS == {{''CCHHAARRMMMM2277'':: ((''OOGG11'',, ''OOCC11'',, ''OOHH22'',, ''NNEE22'',, ''SSGG'',, │ │ │ │ + ''OOHH'',, ''OOGG'',, ''SSDD'',, ''OODD11'',, ''OO'',, ''OOCC22'',, ''OODD22'',, ''NNDD11'',, ''OOWW'',, ''OOEE22'',, ''OOEE11'')),, │ │ │ │ + ''GGLLYYCCAAMM0066'':: ((''OO'',, ''SSMM'',, ''OOYY'',, ''OO22'',, ''OOHH'',, ''OOWW'',, ''NN'',, ''NNTT'',, ''OOSS'')),, │ │ │ │ + ''ootthheerr'':: (())}}_¶ │ │ │ │ default atom names that are treated as hydrogen aacccceeppttoorrss (see │ │ │ │ _D_e_f_a_u_l_t_ _h_e_a_v_y_ _a_t_o_m_ _n_a_m_e_s_ _f_o_r_ _C_H_A_R_M_M_2_7_ _f_o_r_c_e_ _f_i_e_l_d_.); use the │ │ │ │ keywordacceptorsto add a list of additional acceptor names. │ │ │ │ - DEFAULT_DONORS == {{''CCHHAARRMMMM2277'':: ((''NNHH22'',, ''NNEE11'',, ''NNEE22'',, ''NNDD22'',, ''OOHH22'',, ''NN'',, │ │ │ │ - ''OOHH'',, ''NNZZ'',, ''OOWW'',, ''SSGG'',, ''OOGG11'',, ''NNEE'',, ''NNHH11'',, ''NNDD11'',, ''OOGG'')),, ''GGLLYYCCAAMM0066'':: │ │ │ │ - ((''NN'',, ''NN33'',, ''OOWW'',, ''NNTT'',, ''OOHH'')),, ''ootthheerr'':: (())}}_¶ │ │ │ │ + DEFAULT_DONORS == {{''CCHHAARRMMMM2277'':: ((''OOGG11'',, ''NNHH22'',, ''NNDD22'',, ''OOHH22'',, ''NNEE22'',, │ │ │ │ + ''NNHH11'',, ''SSGG'',, ''NNEE11'',, ''NNZZ'',, ''NNDD11'',, ''OOWW'',, ''OOHH'',, ''NN'',, ''NNEE'',, ''OOGG'')),, │ │ │ │ + ''GGLLYYCCAAMM0066'':: ((''OOHH'',, ''OOWW'',, ''NN'',, ''NNTT'',, ''NN33'')),, ''ootthheerr'':: (())}}_¶ │ │ │ │ default heavy atom names whose hydrogens are treated as ddoonnoorrss (see │ │ │ │ _D_e_f_a_u_l_t_ _h_e_a_v_y_ _a_t_o_m_ _n_a_m_e_s_ _f_o_r_ _C_H_A_R_M_M_2_7_ _f_o_r_c_e_ _f_i_e_l_d_.); use the │ │ │ │ keyworddonorsto add a list of additional donor names. │ │ │ │ count_by_time(aannaallyyssiiss__ffuunncc==NNoonnee, ****kkwwaarrggss)_[_s_o_u_r_c_e_]_¶ │ │ │ │ Counts the number of water bridges per timestep. │ │ │ │ The counting behaviour can be adjusted by supplying analysis_func. │ │ │ │ See _U_s_e_ _c_o_u_n_t___b_y___t_i_m_e for details.