{"diffoscope-json-version": 1, "source1": "/srv/reproducible-results/rbuild-debian/r-b-build.6HsJuGYO/b1/mdanalysis_2.7.0-5_amd64.changes", "source2": "/srv/reproducible-results/rbuild-debian/r-b-build.6HsJuGYO/b2/mdanalysis_2.7.0-5_amd64.changes", "unified_diff": null, "details": [{"source1": "Files", "source2": "Files", "unified_diff": "@@ -1,4 +1,4 @@\n \n- d6291b778264b2a245140dd6a79eeb47 2366188 doc optional python-mdanalysis-doc_2.7.0-5_all.deb\n+ f320b49beea3bfbcc1ca3f416047317a 2366228 doc optional python-mdanalysis-doc_2.7.0-5_all.deb\n 2f59714f7b6af49f6271d797dc569679 6129188 debug optional python3-mdanalysis-dbgsym_2.7.0-5_amd64.deb\n cae36096407500661fc9d285be5ff1f3 1964784 python optional python3-mdanalysis_2.7.0-5_amd64.deb\n"}, {"source1": "python-mdanalysis-doc_2.7.0-5_all.deb", "source2": "python-mdanalysis-doc_2.7.0-5_all.deb", "unified_diff": null, "details": [{"source1": "file list", "source2": "file list", "unified_diff": "@@ -1,3 +1,3 @@\n -rw-r--r-- 0 0 0 4 2024-08-10 17:37:15.000000 debian-binary\n -rw-r--r-- 0 0 0 13500 2024-08-10 17:37:15.000000 control.tar.xz\n--rw-r--r-- 0 0 0 2352496 2024-08-10 17:37:15.000000 data.tar.xz\n+-rw-r--r-- 0 0 0 2352536 2024-08-10 17:37:15.000000 data.tar.xz\n"}, {"source1": "control.tar.xz", "source2": "control.tar.xz", "unified_diff": null, "details": [{"source1": "control.tar", "source2": "control.tar", "unified_diff": null, "details": [{"source1": "./md5sums", "source2": "./md5sums", "unified_diff": null, "details": [{"source1": "./md5sums", "source2": "./md5sums", "comments": ["Files differ"], "unified_diff": null}]}]}]}, {"source1": "data.tar.xz", "source2": "data.tar.xz", "unified_diff": null, "details": [{"source1": "data.tar", "source2": "data.tar", "unified_diff": null, "details": [{"source1": "./usr/share/doc/python-mdanalysis-doc/html/documentation_pages/analysis/wbridge_analysis.html", "source2": "./usr/share/doc/python-mdanalysis-doc/html/documentation_pages/analysis/wbridge_analysis.html", "unified_diff": "@@ -906,23 +906,23 @@\n

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

\n \n \n \n
\n
\n-DEFAULT_ACCEPTORS = {'CHARMM27': ('OD1', 'SG', 'O', 'OG', 'OE1', 'OC2', 'ND1', 'NE2', 'SD', 'OC1', 'OG1', 'OH2', 'OD2', 'OE2', 'OH', 'OW'), 'GLYCAM06': ('N', 'SM', 'O', 'OY', 'OS', 'NT', 'OH', 'OW', 'O2'), 'other': ()}\u00b6
\n+DEFAULT_ACCEPTORS = {'CHARMM27': ('OD1', 'OC1', 'OW', 'OG', 'SG', 'NE2', 'OC2', 'O', 'OH2', 'OD2', 'ND1', 'OE2', 'SD', 'OE1', 'OG1', 'OH'), 'GLYCAM06': ('N', 'OS', 'OY', 'NT', 'OW', 'SM', 'O', 'O2', 'OH'), 'other': ()}\u00b6\n

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

\n
\n \n
\n
\n-DEFAULT_DONORS = {'CHARMM27': ('SG', 'NE1', 'N', 'OG', 'OG1', 'OH2', 'NH2', 'NZ', 'NH1', 'ND2', 'OH', 'ND1', 'NE', 'OW', 'NE2'), 'GLYCAM06': ('N3', 'N', 'NT', 'OH', 'OW'), 'other': ()}\u00b6
\n+DEFAULT_DONORS = {'CHARMM27': ('N', 'NH1', 'NZ', 'NE', 'OW', 'ND1', 'NE1', 'OG', 'ND2', 'OG1', 'SG', 'NE2', 'NH2', 'OH2', 'OH'), 'GLYCAM06': ('N', 'OW', 'NT', 'N3', 'OH'), 'other': ()}\u00b6\n

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

\n
\n \n
\n
\n", "details": [{"source1": "html2text {}", "source2": "html2text {}", "unified_diff": "@@ -554,24 +554,24 @@\n List of hydrogen bonds between the selection 1 or selection 2 and\n the bridging waters, for each frame.\n Added in version 2.0.0.\n timeseries_\b\u00b6\n Alias to the _\br_\be_\bs_\bu_\bl_\bt_\bs_\b._\bt_\bi_\bm_\be_\bs_\be_\br_\bi_\be_\bs attribute.\n Deprecated since version 2.0.0: Will be removed in MDAnalysis\n 3.0.0. Please use _\br_\be_\bs_\bu_\bl_\bt_\bs_\b._\bt_\bi_\bm_\be_\bs_\be_\br_\bi_\be_\bs instead.\n- DEFAULT_ACCEPTORS =\b= {\b{'\b'C\bCH\bHA\bAR\bRM\bMM\bM2\b27\b7'\b':\b: (\b('\b'O\bOD\bD1\b1'\b',\b, '\b'S\bSG\bG'\b',\b, '\b'O\bO'\b',\b, '\b'O\bOG\bG'\b',\b, '\b'O\bOE\bE1\b1'\b',\b, '\b'O\bOC\bC2\b2'\b',\b,\n- '\b'N\bND\bD1\b1'\b',\b, '\b'N\bNE\bE2\b2'\b',\b, '\b'S\bSD\bD'\b',\b, '\b'O\bOC\bC1\b1'\b',\b, '\b'O\bOG\bG1\b1'\b',\b, '\b'O\bOH\bH2\b2'\b',\b, '\b'O\bOD\bD2\b2'\b',\b, '\b'O\bOE\bE2\b2'\b',\b, '\b'O\bOH\bH'\b',\b, '\b'O\bOW\bW'\b')\b),\b,\n- '\b'G\bGL\bLY\bYC\bCA\bAM\bM0\b06\b6'\b':\b: (\b('\b'N\bN'\b',\b, '\b'S\bSM\bM'\b',\b, '\b'O\bO'\b',\b, '\b'O\bOY\bY'\b',\b, '\b'O\bOS\bS'\b',\b, '\b'N\bNT\bT'\b',\b, '\b'O\bOH\bH'\b',\b, '\b'O\bOW\bW'\b',\b, '\b'O\bO2\b2'\b')\b),\b,\n- '\b'o\bot\bth\bhe\ber\br'\b':\b: (\b()\b)}\b}_\b\u00b6\n+ DEFAULT_ACCEPTORS =\b= {\b{'\b'C\bCH\bHA\bAR\bRM\bMM\bM2\b27\b7'\b':\b: (\b('\b'O\bOD\bD1\b1'\b',\b, '\b'O\bOC\bC1\b1'\b',\b, '\b'O\bOW\bW'\b',\b, '\b'O\bOG\bG'\b',\b, '\b'S\bSG\bG'\b',\b,\n+ '\b'N\bNE\bE2\b2'\b',\b, '\b'O\bOC\bC2\b2'\b',\b, '\b'O\bO'\b',\b, '\b'O\bOH\bH2\b2'\b',\b, '\b'O\bOD\bD2\b2'\b',\b, '\b'N\bND\bD1\b1'\b',\b, '\b'O\bOE\bE2\b2'\b',\b, '\b'S\bSD\bD'\b',\b, '\b'O\bOE\bE1\b1'\b',\b, '\b'O\bOG\bG1\b1'\b',\b,\n+ '\b'O\bOH\bH'\b')\b),\b, '\b'G\bGL\bLY\bYC\bCA\bAM\bM0\b06\b6'\b':\b: (\b('\b'N\bN'\b',\b, '\b'O\bOS\bS'\b',\b, '\b'O\bOY\bY'\b',\b, '\b'N\bNT\bT'\b',\b, '\b'O\bOW\bW'\b',\b, '\b'S\bSM\bM'\b',\b, '\b'O\bO'\b',\b, '\b'O\bO2\b2'\b',\b,\n+ '\b'O\bOH\bH'\b')\b),\b, '\b'o\bot\bth\bhe\ber\br'\b':\b: (\b()\b)}\b}_\b\u00b6\n default atom names that are treated as hydrogen a\bac\bcc\bce\bep\bpt\bto\bor\brs\bs (see\n _\bD_\be_\bf_\ba_\bu_\bl_\bt_\b _\bh_\be_\ba_\bv_\by_\b _\ba_\bt_\bo_\bm_\b _\bn_\ba_\bm_\be_\bs_\b _\bf_\bo_\br_\b _\bC_\bH_\bA_\bR_\bM_\bM_\b2_\b7_\b _\bf_\bo_\br_\bc_\be_\b _\bf_\bi_\be_\bl_\bd_\b.); use the\n keywordacceptorsto add a list of additional acceptor names.\n- DEFAULT_DONORS =\b= {\b{'\b'C\bCH\bHA\bAR\bRM\bMM\bM2\b27\b7'\b':\b: (\b('\b'S\bSG\bG'\b',\b, '\b'N\bNE\bE1\b1'\b',\b, '\b'N\bN'\b',\b, '\b'O\bOG\bG'\b',\b, '\b'O\bOG\bG1\b1'\b',\b, '\b'O\bOH\bH2\b2'\b',\b,\n- '\b'N\bNH\bH2\b2'\b',\b, '\b'N\bNZ\bZ'\b',\b, '\b'N\bNH\bH1\b1'\b',\b, '\b'N\bND\bD2\b2'\b',\b, '\b'O\bOH\bH'\b',\b, '\b'N\bND\bD1\b1'\b',\b, '\b'N\bNE\bE'\b',\b, '\b'O\bOW\bW'\b',\b, '\b'N\bNE\bE2\b2'\b')\b),\b, '\b'G\bGL\bLY\bYC\bCA\bAM\bM0\b06\b6'\b':\b:\n- (\b('\b'N\bN3\b3'\b',\b, '\b'N\bN'\b',\b, '\b'N\bNT\bT'\b',\b, '\b'O\bOH\bH'\b',\b, '\b'O\bOW\bW'\b')\b),\b, '\b'o\bot\bth\bhe\ber\br'\b':\b: (\b()\b)}\b}_\b\u00b6\n+ DEFAULT_DONORS =\b= {\b{'\b'C\bCH\bHA\bAR\bRM\bMM\bM2\b27\b7'\b':\b: (\b('\b'N\bN'\b',\b, '\b'N\bNH\bH1\b1'\b',\b, '\b'N\bNZ\bZ'\b',\b, '\b'N\bNE\bE'\b',\b, '\b'O\bOW\bW'\b',\b, '\b'N\bND\bD1\b1'\b',\b,\n+ '\b'N\bNE\bE1\b1'\b',\b, '\b'O\bOG\bG'\b',\b, '\b'N\bND\bD2\b2'\b',\b, '\b'O\bOG\bG1\b1'\b',\b, '\b'S\bSG\bG'\b',\b, '\b'N\bNE\bE2\b2'\b',\b, '\b'N\bNH\bH2\b2'\b',\b, '\b'O\bOH\bH2\b2'\b',\b, '\b'O\bOH\bH'\b')\b),\b,\n+ '\b'G\bGL\bLY\bYC\bCA\bAM\bM0\b06\b6'\b':\b: (\b('\b'N\bN'\b',\b, '\b'O\bOW\bW'\b',\b, '\b'N\bNT\bT'\b',\b, '\b'N\bN3\b3'\b',\b, '\b'O\bOH\bH'\b')\b),\b, '\b'o\bot\bth\bhe\ber\br'\b':\b: (\b()\b)}\b}_\b\u00b6\n default heavy atom names whose hydrogens are treated as d\bdo\bon\bno\bor\brs\bs (see\n _\bD_\be_\bf_\ba_\bu_\bl_\bt_\b _\bh_\be_\ba_\bv_\by_\b _\ba_\bt_\bo_\bm_\b _\bn_\ba_\bm_\be_\bs_\b _\bf_\bo_\br_\b _\bC_\bH_\bA_\bR_\bM_\bM_\b2_\b7_\b _\bf_\bo_\br_\bc_\be_\b _\bf_\bi_\be_\bl_\bd_\b.); use the\n keyworddonorsto add a list of additional donor names.\n count_by_time(a\ban\bna\bal\bly\bys\bsi\bis\bs_\b_f\bfu\bun\bnc\bc=\b=N\bNo\bon\bne\be, *\b**\b*k\bkw\bwa\bar\brg\bgs\bs)_\b[_\bs_\bo_\bu_\br_\bc_\be_\b]_\b\u00b6\n Counts the number of water bridges per timestep.\n The counting behaviour can be adjusted by supplying analysis_func.\n See _\bU_\bs_\be_\b _\bc_\bo_\bu_\bn_\bt_\b__\bb_\by_\b__\bt_\bi_\bm_\be for details.\n"}]}]}]}]}]}