Mercurial > repos > bgruening > fpocket

comparison test-data/2brc.pdb @ 3:4cc9d85c3bae draft default tip

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
author bgruening
date Fri, 10 Sep 2021 08:20:08 +0000
parents 2063e965531c
children
comparison
equal deleted inserted replaced
2:4fb73be7f4cb 3:4cc9d85c3bae
2134 ATOM 1661 CA GLU A 214 48.167 -25.166 6.890 1.00 36.09 C 2134 ATOM 1661 CA GLU A 214 48.167 -25.166 6.890 1.00 36.09 C
2135 ATOM 1662 C GLU A 214 49.322 -25.926 6.250 1.00 37.21 C 2135 ATOM 1662 C GLU A 214 49.322 -25.926 6.250 1.00 37.21 C
2136 ATOM 1663 O GLU A 214 50.269 -25.321 5.741 1.00 39.17 O 2136 ATOM 1663 O GLU A 214 50.269 -25.321 5.741 1.00 39.17 O
2137 ATOM 1664 CB GLU A 214 47.235 -26.118 7.659 1.00 36.52 C 2137 ATOM 1664 CB GLU A 214 47.235 -26.118 7.659 1.00 36.52 C
2138 TER 1665 GLU A 214 2138 TER 1665 GLU A 214
2139 HETATM 1666 C15 CT5 A1215 15.832 -3.998 -6.208 1.00 25.67 C
2140 HETATM 1667 C12 CT5 A1215 14.587 -4.452 -5.763 1.00 28.05 C
2141 HETATM 1668 O17 CT5 A1215 14.301 -5.791 -5.677 1.00 30.93 O
2142 HETATM 1669 O18 CT5 A1215 12.319 -3.924 -4.962 1.00 29.97 O
2143 HETATM 1670 C16 CT5 A1215 13.552 -3.469 -5.403 1.00 28.80 C
2144 HETATM 1671 C22 CT5 A1215 13.860 -2.115 -5.505 1.00 27.01 C
2145 HETATM 1672 C20 CT5 A1215 15.121 -1.683 -5.940 1.00 25.07 C
2146 HETATM 1673 C8 CT5 A1215 16.106 -2.626 -6.272 1.00 22.65 C
2147 HETATM 1674 C4 CT5 A1215 17.463 -2.201 -6.740 1.00 20.99 C
2148 HETATM 1675 C1 CT5 A1215 17.793 -1.365 -7.889 1.00 20.01 C
2149 HETATM 1676 C7 CT5 A1215 16.898 -0.697 -8.883 1.00 20.86 C
2150 HETATM 1677 N5 CT5 A1215 19.135 -1.325 -7.892 1.00 20.33 N
2151 HETATM 1678 C2 CT5 A1215 18.765 -2.576 -6.126 1.00 20.47 C
2152 HETATM 1679 N3 CT5 A1215 19.722 -2.059 -6.829 1.00 17.62 N
2153 HETATM 1680 C6 CT5 A1215 18.777 -3.426 -4.926 1.00 18.05 C
2154 HETATM 1681 C10 CT5 A1215 17.894 -3.156 -3.904 1.00 20.49 C
2155 HETATM 1682 C14 CT5 A1215 17.913 -3.976 -2.805 1.00 20.25 C
2156 HETATM 1683 C26 CT5 A1215 16.971 -3.760 -1.648 1.00 22.59 C
2157 HETATM 1684 C27 CT5 A1215 15.676 -3.093 -2.071 1.00 23.73 C
2158 HETATM 1685 C13 CT5 A1215 18.858 -5.086 -2.726 1.00 18.94 C
2159 HETATM 1686 C17 CT5 A1215 12.914 -6.160 -5.760 1.00 31.68 C
2160 HETATM 1687 O25 CT5 A1215 18.763 -5.850 -1.608 1.00 19.94 O
2161 HETATM 1688 C11 CT5 A1215 19.738 -5.362 -3.766 1.00 18.56 C
2162 HETATM 1689 C18 CT5 A1215 12.153 -5.328 -4.722 1.00 31.36 C
2163 HETATM 1690 C9 CT5 A1215 19.743 -4.525 -4.868 1.00 16.40 C
2164 HETATM 1691 O24 CT5 A1215 20.591 -4.693 -5.899 1.00 16.05 O
2139 HETATM 1692 O HOH A2001 33.747 10.121 4.457 1.00 32.57 O 2165 HETATM 1692 O HOH A2001 33.747 10.121 4.457 1.00 32.57 O
2140 HETATM 1693 O HOH A2002 33.709 14.705 5.205 1.00 49.78 O 2166 HETATM 1693 O HOH A2002 33.709 14.705 5.205 1.00 49.78 O
2141 HETATM 1694 O HOH A2003 33.271 8.020 7.785 1.00 58.21 O 2167 HETATM 1694 O HOH A2003 33.271 8.020 7.785 1.00 58.21 O
2142 HETATM 1695 O HOH A2004 27.559 13.039 1.851 1.00 20.69 O 2168 HETATM 1695 O HOH A2004 27.559 13.039 1.851 1.00 20.69 O
2143 HETATM 1696 O HOH A2005 31.138 7.178 5.627 1.00 21.41 O 2169 HETATM 1696 O HOH A2005 31.138 7.178 5.627 1.00 21.41 O