Branch: rosetta:commits 「revision: №20464」
Test: mac.clang.python39.integration
SubTest: phosphonate
SubTest files: 「file-system-view」
Daemon: hojo-4    
State: phosphonate

Brief Diff: Files /home/benchmark/working_dir/main:62124/phosphonate/2xhm_AnCE_k26_clean_0001.pdb and /home/benchmark/working_dir/commits:20464/phosphonate/2xhm_AnCE_k26_clean_0001.pdb differ Files /home/benchmark/working_dir/main:62124/phosphonate/score.sc and /home/benchmark/working_dir/commits:20464/phosphonate/score.sc differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62124/phosphonate/2xhm_AnCE_k26_clean_0001.pdb /home/benchmark/working_dir/commits:20464/phosphonate/2xhm_AnCE_k26_clean_0001.pdb 25,10262c25,9665 < TER < ATOM 12 N LEU A 18 12.007 36.880 -43.993 1.00 53.01 N < ATOM 13 CA LEU A 18 10.980 36.355 -43.090 1.00 52.60 C < ATOM 14 C LEU A 18 10.850 34.836 -43.176 1.00 52.19 C < ATOM 15 O LEU A 18 10.399 34.192 -42.222 1.00 52.20 O < ATOM 16 CB LEU A 18 9.626 37.023 -43.364 1.00 52.66 C < ATOM 17 CG LEU A 18 9.496 38.492 -42.949 1.00 52.67 C < ATOM 18 CD1 LEU A 18 8.361 39.178 -43.700 1.00 52.69 C < ATOM 19 CD2 LEU A 18 9.313 38.622 -41.442 1.00 52.52 C < ATOM 20 H LEU A 18 11.728 37.269 -44.882 1.00 0.00 H < ATOM 21 HA LEU A 18 11.275 36.577 -42.065 1.00 0.00 H < ATOM 22 1HB LEU A 18 9.421 36.968 -44.432 1.00 0.00 H < ATOM 23 2HB LEU A 18 8.851 36.466 -42.837 1.00 0.00 H < ATOM 24 HG LEU A 18 10.397 39.033 -43.239 1.00 0.00 H < ATOM 25 1HD1 LEU A 18 8.293 40.219 -43.385 1.00 0.00 H < ATOM 26 2HD1 LEU A 18 8.556 39.136 -44.772 1.00 0.00 H < ATOM 27 3HD1 LEU A 18 7.422 38.671 -43.482 1.00 0.00 H < ATOM 28 1HD2 LEU A 18 9.224 39.676 -41.176 1.00 0.00 H < ATOM 29 2HD2 LEU A 18 8.409 38.094 -41.138 1.00 0.00 H < ATOM 30 3HD2 LEU A 18 10.174 38.190 -40.932 1.00 0.00 H < TER < ATOM 32 N VAL A 19 11.242 34.277 -44.321 1.00 51.58 N < ATOM 33 CA VAL A 19 11.217 32.831 -44.541 1.00 50.90 C < ATOM 34 C VAL A 19 12.152 32.129 -43.551 1.00 50.31 C ...truncated... > ATOM 2125 CG GLU A 150 -22.507 22.203 1.572 1.00 35.40 C > ATOM 2126 CD GLU A 150 -21.964 21.890 0.185 1.00 37.45 C > ATOM 2127 OE1 GLU A 150 -21.456 20.766 -0.027 1.00 38.27 O > ATOM 2128 OE2 GLU A 150 -22.046 22.775 -0.697 1.00 37.81 O > ATOM 2129 H GLU A 150 -22.358 21.636 4.636 1.00 0.00 H > ATOM 2130 HA GLU A 150 -24.702 22.193 3.062 1.00 0.00 H > ATOM 2131 1HB GLU A 150 -22.320 20.372 2.646 1.00 0.00 H > ATOM 2132 2HB GLU A 150 -23.656 20.410 1.505 1.00 0.00 H > ATOM 2133 1HG GLU A 150 -23.262 22.984 1.484 1.00 0.00 H > ATOM 2134 2HG GLU A 150 -21.699 22.585 2.194 1.00 0.00 H > ATOM 2135 N GLU A 151 -24.696 19.351 4.629 1.00 34.26 N > ATOM 2136 CA GLU A 151 -25.589 18.276 5.068 1.00 34.64 C > ATOM 2137 C GLU A 151 -26.916 18.863 5.558 1.00 34.41 C > ATOM 2138 O GLU A 151 -27.982 18.387 5.177 1.00 34.53 O > ATOM 2139 CB GLU A 151 -24.927 17.416 6.161 1.00 34.79 C > ATOM 2140 CG GLU A 151 -25.816 16.319 6.767 1.00 35.48 C > ATOM 2141 CD GLU A 151 -25.777 14.999 6.003 1.00 36.85 C > ATOM 2142 OE1 GLU A 151 -25.158 14.934 4.920 1.00 37.43 O > ATOM 2143 OE2 GLU A 151 -26.373 14.015 6.496 1.00 37.24 O > ATOM 2144 H GLU A 151 -23.791 19.449 5.067 1.00 0.00 H > ATOM 2145 HA GLU A 151 -25.806 17.636 4.212 1.00 0.00 H > ATOM 2146 1HB GLU A 151 -24.042 16.928 5.753 1.00 0.00 H > ATOM 2147 2HB GLU A 151 -24.599 18.057 6.980 1.00 0.00 H > ATOM 2148 1HG GLU A 151 -25.496 16.131 7.792 1.00 0.00 H > ATOM 2149 2HG GLU A 151 -26.845 16.675 6.797 1.00 0.00 H > ATOM 2150 N VAL A 152 -26.839 19.907 6.382 1.00 34.26 N > ATOM 2151 CA VAL A 152 -28.032 20.560 6.924 1.00 34.10 C > ATOM 2152 C VAL A 152 -28.807 21.294 5.827 1.00 34.04 C > ATOM 2153 O VAL A 152 -30.004 21.060 5.647 1.00 34.10 O > ATOM 2154 CB VAL A 152 -27.687 21.533 8.072 1.00 33.98 C > ATOM 2155 CG1 VAL A 152 -28.941 22.246 8.568 1.00 33.98 C > ATOM 2156 CG2 VAL A 152 -27.010 20.790 9.217 1.00 34.24 C > ATOM 2157 H VAL A 152 -25.927 20.257 6.639 1.00 0.00 H > ATOM 2158 HA VAL A 152 -28.696 19.792 7.323 1.00 0.00 H > ATOM 2159 HB VAL A 152 -27.012 22.301 7.694 1.00 0.00 H > ATOM 2160 1HG1 VAL A 152 -28.676 22.928 9.377 1.00 0.00 H > ATOM 2161 2HG1 VAL A 152 -29.386 22.811 7.749 1.00 0.00 H > ATOM 2162 3HG1 VAL A 152 -29.657 21.510 8.934 1.00 0.00 H > ATOM 2163 1HG2 VAL A 152 -26.774 21.492 10.016 1.00 0.00 H > ATOM 2164 2HG2 VAL A 152 -27.680 20.019 9.597 1.00 0.00 H > ATOM 2165 3HG2 VAL A 152 -26.091 20.327 8.857 1.00 0.00 H > ATOM 2166 N ILE A 153 -28.117 22.165 5.091 1.00 33.78 N > ATOM 2167 CA ILE A 153 -28.734 22.937 4.003 1.00 33.60 C > ATOM 2168 C ILE A 153 -29.512 22.053 3.027 1.00 33.46 C > ATOM 2169 O ILE A 153 -30.611 22.409 2.595 1.00 33.39 O > ATOM 2170 CB ILE A 153 -27.690 23.818 3.256 1.00 33.55 C > ATOM 2171 CG1 ILE A 153 -27.073 24.859 4.206 1.00 33.27 C > ATOM 2172 CG2 ILE A 153 -28.299 24.495 2.020 1.00 33.69 C > ATOM 2173 CD1 ILE A 153 -28.052 25.892 4.762 1.00 32.49 C > ATOM 2174 H ILE A 153 -27.136 22.296 5.292 1.00 0.00 H > ATOM 2175 HA ILE A 153 -29.487 23.597 4.432 1.00 0.00 H > ATOM 2176 HB ILE A 153 -26.856 23.197 2.930 1.00 0.00 H > ATOM 2177 1HG1 ILE A 153 -26.615 24.351 5.054 1.00 0.00 H > ATOM 2178 2HG1 ILE A 153 -26.284 25.403 3.687 1.00 0.00 H > ATOM 2179 1HG2 ILE A 153 -27.540 25.101 1.526 1.00 0.00 H > ATOM 2180 2HG2 ILE A 153 -28.661 23.734 1.330 1.00 0.00 H > ATOM 2181 3HG2 ILE A 153 -29.129 25.132 2.326 1.00 0.00 H > ATOM 2182 1HD1 ILE A 153 -27.520 26.580 5.420 1.00 0.00 H > ATOM 2183 2HD1 ILE A 153 -28.499 26.450 3.938 1.00 0.00 H > ATOM 2184 3HD1 ILE A 153 -28.834 25.385 5.325 1.00 0.00 H > ATOM 2185 N SER A 154 -28.956 20.890 2.703 1.00 33.69 N > ATOM 2186 CA SER A 154 -29.592 19.985 1.750 1.00 34.07 C > ATOM 2187 C SER A 154 -30.742 19.161 2.344 1.00 34.15 C > ATOM 2188 O SER A 154 -31.637 18.743 1.613 1.00 33.67 O > ATOM 2189 CB SER A 154 -28.553 19.062 1.109 1.00 34.17 C > ATOM 2190 OG SER A 154 -27.895 18.292 2.095 1.00 35.57 O > ATOM 2191 H SER A 154 -28.076 20.624 3.122 1.00 0.00 H > ATOM 2192 HA SER A 154 -30.059 20.581 0.965 1.00 0.00 H > ATOM 2193 1HB SER A 154 -29.044 18.404 0.392 1.00 0.00 H > ATOM 2194 2HB SER A 154 -27.826 19.659 0.560 1.00 0.00 H > ATOM 2195 HG SER A 154 -28.280 18.553 2.935 1.00 0.00 H > ATOM 2196 N LYS A 155 -30.719 18.936 3.659 1.00 34.48 N > ATOM 2197 CA LYS A 155 -31.648 17.986 4.287 1.00 35.09 C > ATOM 2198 C LYS A 155 -32.680 18.579 5.256 1.00 34.90 C > ATOM 2199 O LYS A 155 -33.806 18.093 5.328 1.00 34.81 O > ATOM 2200 CB LYS A 155 -30.876 16.845 4.966 1.00 35.46 C > ATOM 2201 CG LYS A 155 -30.112 15.973 3.980 1.00 37.58 C > ATOM 2202 CD LYS A 155 -29.444 14.772 4.636 1.00 40.52 C > ATOM 2203 CE LYS A 155 -28.720 13.935 3.578 1.00 42.11 C > ATOM 2204 NZ LYS A 155 -28.275 12.605 4.088 1.00 43.44 N > ATOM 2205 H LYS A 155 -30.051 19.426 4.237 1.00 0.00 H > ATOM 2206 HA LYS A 155 -32.285 17.561 3.511 1.00 0.00 H > ATOM 2207 1HB LYS A 155 -30.168 17.261 5.683 1.00 0.00 H > ATOM 2208 2HB LYS A 155 -31.571 16.215 5.521 1.00 0.00 H > ATOM 2209 1HG LYS A 155 -30.796 15.603 3.215 1.00 0.00 H > ATOM 2210 2HG LYS A 155 -29.338 16.566 3.494 1.00 0.00 H > ATOM 2211 1HD LYS A 155 -28.730 15.117 5.385 1.00 0.00 H > ATOM 2212 2HD LYS A 155 -30.199 14.162 5.133 1.00 0.00 H > ATOM 2213 1HE LYS A 155 -29.382 13.770 2.729 1.00 0.00 H > ATOM 2214 2HE LYS A 155 -27.841 14.475 3.225 1.00 0.00 H > ATOM 2215 1HZ LYS A 155 -27.806 12.100 3.349 1.00 0.00 H > ATOM 2216 2HZ LYS A 155 -27.639 12.736 4.862 1.00 0.00 H > ATOM 2217 3HZ LYS A 155 -29.078 12.077 4.398 1.00 0.00 H > ATOM 2218 N SER A 156 -32.298 19.610 6.005 1.00 34.92 N > ATOM 2219 CA SER A 156 -33.212 20.226 6.969 1.00 34.90 C > ATOM 2220 C SER A 156 -34.387 20.915 6.282 1.00 34.87 C > ATOM 2221 O SER A 156 -34.221 21.566 5.247 1.00 34.39 O > ATOM 2222 CB SER A 156 -32.474 21.231 7.851 1.00 34.96 C > ATOM 2223 OG SER A 156 -33.372 21.900 8.720 1.00 35.35 O > ATOM 2224 H SER A 156 -31.362 19.977 5.910 1.00 0.00 H > ATOM 2225 HA SER A 156 -33.622 19.442 7.607 1.00 0.00 H > ATOM 2226 1HB SER A 156 -31.715 20.713 8.437 1.00 0.00 H > ATOM 2227 2HB SER A 156 -31.962 21.959 7.223 1.00 0.00 H > ATOM 2228 HG SER A 156 -34.242 21.542 8.529 1.00 0.00 H > ATOM 2229 N ARG A 157 -35.576 20.750 6.854 1.00 34.78 N > ATOM 2230 CA ARG A 157 -36.743 21.525 6.428 1.00 35.12 C > ATOM 2231 C ARG A 157 -37.222 22.416 7.574 1.00 34.73 C > ATOM 2232 O ARG A 157 -38.389 22.795 7.630 1.00 35.04 O > ATOM 2233 CB ARG A 157 -37.878 20.621 5.919 1.00 35.40 C > ATOM 2234 CG ARG A 157 -37.470 19.514 4.938 1.00 36.80 C > ATOM 2235 CD ARG A 157 -36.829 20.047 3.666 1.00 39.10 C > ATOM 2236 NE ARG A 157 -36.742 19.017 2.632 1.00 40.84 N > ATOM 2237 CZ ARG A 157 -35.746 18.904 1.755 1.00 41.95 C > ATOM 2238 NH1 ARG A 157 -34.708 19.745 1.783 1.00 42.01 N > ATOM 2239 NH2 ARG A 157 -35.776 17.930 0.856 1.00 41.56 N > ATOM 2240 H ARG A 157 -35.678 20.076 7.599 1.00 0.00 H > ATOM 2241 HA ARG A 157 -36.443 22.180 5.610 1.00 0.00 H > ATOM 2242 1HB ARG A 157 -38.362 20.134 6.764 1.00 0.00 H > ATOM 2243 2HB ARG A 157 -38.631 21.229 5.417 1.00 0.00 H > ATOM 2244 1HG ARG A 157 -36.749 18.851 5.417 1.00 0.00 H > ATOM 2245 2HG ARG A 157 -38.352 18.942 4.647 1.00 0.00 H > ATOM 2246 1HD ARG A 157 -37.424 20.873 3.278 1.00 0.00 H > ATOM 2247 2HD ARG A 157 -35.821 20.398 3.886 1.00 0.00 H > ATOM 2248 HE ARG A 157 -37.492 18.341 2.578 1.00 0.00 H > ATOM 2249 1HH1 ARG A 157 -34.671 20.479 2.476 1.00 0.00 H > ATOM 2250 2HH1 ARG A 157 -33.960 19.647 1.112 1.00 0.00 H > ATOM 2251 1HH2 ARG A 157 -36.551 17.281 0.840 1.00 0.00 H > ATOM 2252 2HH2 ARG A 157 -35.026 17.837 0