From f1d182f47240958f2a04bda87e3dbe1601470e27 Mon Sep 17 00:00:00 2001 From: recombinatrix Date: Mon, 17 Feb 2025 23:02:10 +1100 Subject: [PATCH] remove redundant coordinate files --- polyconf_examples/CODM_bonds.pdb | 33 --------------------- polyconf_examples/P4DM_bonds.pdb | 51 -------------------------------- polyconf_examples/P4LM_bonds.pdb | 51 -------------------------------- 3 files changed, 135 deletions(-) delete mode 100644 polyconf_examples/CODM_bonds.pdb delete mode 100644 polyconf_examples/P4DM_bonds.pdb delete mode 100644 polyconf_examples/P4LM_bonds.pdb diff --git a/polyconf_examples/CODM_bonds.pdb b/polyconf_examples/CODM_bonds.pdb deleted file mode 100644 index 155bf6e..0000000 --- a/polyconf_examples/CODM_bonds.pdb +++ /dev/null @@ -1,33 +0,0 @@ -HEADER UNCLASSIFIED 21-Feb-24 -TITLE UNITED ATOM STRUCTURE FOR MOLECULE UNL -AUTHOR AUTOMATED TOPOLOGY BUILDER (ATB) REVISION 2023-06-14 20:38:16 -AUTHOR 2 https://atb.uq.edu.au -HETATM 1 O1B CODM 0 -4.359 -0.854 -0.022 1.00 0.00 O -HETATM 2 C1C CODM 0 -3.162 -0.675 0.318 1.00 0.00 C -HETATM 3 O1A CODM 0 -2.718 -0.448 1.479 1.00 0.00 O -HETATM 4 C1B CODM 0 -2.109 -0.659 -0.835 1.00 0.00 C -HETATM 5 C1A CODM 0 -0.751 -1.182 -0.387 1.00 0.00 C -HETATM 6 OG1 CODM 0 0.309 -0.751 -1.289 1.00 0.00 O -HETATM 7 CB CODM 0 1.189 0.245 -1.061 1.00 0.00 C -HETATM 8 OG2 CODM 0 1.893 0.579 -2.003 1.00 0.00 O -HETATM 9 CA CODM 0 1.338 0.936 0.303 1.00 0.00 C -HETATM 10 CN CODM 0 0.108 1.795 0.697 1.00 0.00 C -HETATM 11 CMA CODM 0 -0.271 2.851 -0.350 1.00 0.00 C -HETATM 12 C CODM 0 1.822 0.032 1.468 1.00 0.00 C -HETATM 13 CP CODM 0 3.248 -0.539 1.340 1.00 0.00 C -HETATM 14 CQ CODM 0 3.420 -1.681 0.329 1.00 0.00 C -CONECT 1 2 -CONECT 2 1 3 4 -CONECT 3 2 -CONECT 4 2 5 -CONECT 5 4 6 -CONECT 6 5 7 -CONECT 7 6 8 9 -CONECT 8 7 -CONECT 9 7 10 12 -CONECT 10 9 11 -CONECT 11 10 -CONECT 12 9 13 -CONECT 13 12 14 -CONECT 14 13 -END diff --git a/polyconf_examples/P4DM_bonds.pdb b/polyconf_examples/P4DM_bonds.pdb deleted file mode 100644 index 94270d5..0000000 --- a/polyconf_examples/P4DM_bonds.pdb +++ /dev/null @@ -1,51 +0,0 @@ -HEADER UNCLASSIFIED 21-Feb-24 -TITLE UNITED ATOM STRUCTURE FOR MOLECULE UNL -AUTHOR AUTOMATED TOPOLOGY BUILDER (ATB) REVISION 2023-06-14 20:38:16 -AUTHOR 2 https://atb.uq.edu.au -HETATM 1 CQ P4DM 0 -4.367 -3.605 0.943 1.00 0.00 C -HETATM 2 CP P4DM 0 -5.043 -2.236 1.083 1.00 0.00 C -HETATM 3 C P4DM 0 -5.259 -1.548 -0.275 1.00 0.00 C -HETATM 4 CA P4DM 0 -5.978 -0.169 -0.221 1.00 0.00 C -HETATM 5 CB2 P4DM 0 -7.457 -0.387 0.168 1.00 0.00 C -HETATM 6 CN P4DM 0 -5.910 0.576 -1.597 1.00 0.00 C -HETATM 7 CMA P4DM 0 -6.492 -0.187 -2.795 1.00 0.00 C -HETATM 8 CB P4DM 0 -5.373 0.794 0.828 1.00 0.00 C -HETATM 9 OG2 P4DM 0 -6.064 1.372 1.645 1.00 0.00 O -HETATM 10 OG1 P4DM 0 -4.052 1.128 0.848 1.00 0.00 O -HETATM 11 C1A P4DM 0 -2.953 0.505 0.160 1.00 0.00 C -HETATM 12 C1B P4DM 0 -1.722 1.322 0.532 1.00 0.00 C -HETATM 13 O1C P4DM 0 -0.615 0.681 -0.076 1.00 0.00 O -HETATM 14 C2A P4DM 0 0.635 1.249 0.284 1.00 0.00 C -HETATM 15 C2B P4DM 0 1.719 0.378 -0.334 1.00 0.00 C -HETATM 16 O2C P4DM 0 2.975 0.901 0.063 1.00 0.00 O -HETATM 17 C3A P4DM 0 4.062 0.120 -0.407 1.00 0.00 C -HETATM 18 C3B P4DM 0 5.349 0.768 0.086 1.00 0.00 C -HETATM 19 O3C P4DM 0 6.426 -0.043 -0.353 1.00 0.00 O -HETATM 20 C4A P4DM 0 7.692 0.440 0.068 1.00 0.00 C -HETATM 21 C4B P4DM 0 8.745 -0.544 -0.422 1.00 0.00 C -HETATM 22 O4C P4DM 0 10.011 -0.060 -0.009 1.00 0.00 O -HETATM 23 CZ P4DM 0 11.073 -0.913 -0.405 1.00 0.00 C -CONECT 1 2 -CONECT 2 1 3 -CONECT 3 2 4 -CONECT 4 3 5 6 8 -CONECT 5 4 -CONECT 6 4 7 -CONECT 7 6 -CONECT 8 4 9 10 -CONECT 9 8 -CONECT 10 8 11 -CONECT 11 10 12 -CONECT 12 11 13 -CONECT 13 12 14 -CONECT 14 13 15 -CONECT 15 14 16 -CONECT 16 15 17 -CONECT 17 16 18 -CONECT 18 17 19 -CONECT 19 18 20 -CONECT 20 19 21 -CONECT 21 20 22 -CONECT 22 21 23 -CONECT 23 22 -END diff --git a/polyconf_examples/P4LM_bonds.pdb b/polyconf_examples/P4LM_bonds.pdb deleted file mode 100644 index 9f21ea6..0000000 --- a/polyconf_examples/P4LM_bonds.pdb +++ /dev/null @@ -1,51 +0,0 @@ -HEADER UNCLASSIFIED 21-Feb-24 -TITLE UNITED ATOM STRUCTURE FOR MOLECULE UNL -AUTHOR AUTOMATED TOPOLOGY BUILDER (ATB) REVISION 2023-06-14 20:38:16 -AUTHOR 2 https://atb.uq.edu.au -HETATM 1 CQ P4LM 0 -2.187 2.598 0.955 1.00 0.00 C -HETATM 2 CP P4LM 0 -3.103 1.625 0.202 1.00 0.00 C -HETATM 3 C P4LM 0 -4.343 1.244 1.030 1.00 0.00 C -HETATM 4 CA P4LM 0 -5.447 0.380 0.332 1.00 0.00 C -HETATM 5 CB2 P4LM 0 -6.227 -0.430 1.403 1.00 0.00 C -HETATM 6 CN P4LM 0 -6.503 1.297 -0.358 1.00 0.00 C -HETATM 7 CMA P4LM 0 -6.015 2.361 -1.349 1.00 0.00 C -HETATM 8 CB P4LM 0 -4.886 -0.595 -0.730 1.00 0.00 C -HETATM 9 OG2 P4LM 0 -5.275 -0.589 -1.883 1.00 0.00 O -HETATM 10 OG1 P4LM 0 -3.934 -1.524 -0.447 1.00 0.00 O -HETATM 11 C1A P4LM 0 -3.414 -1.897 0.846 1.00 0.00 C -HETATM 12 C1B P4LM 0 -2.032 -2.482 0.645 1.00 0.00 C -HETATM 13 O1C P4LM 0 -1.136 -1.442 0.293 1.00 0.00 O -HETATM 14 C2A P4LM 0 0.205 -1.887 0.160 1.00 0.00 C -HETATM 15 C2B P4LM 0 1.082 -0.659 -0.043 1.00 0.00 C -HETATM 16 O2C P4LM 0 2.422 -1.110 -0.156 1.00 0.00 O -HETATM 17 C3A P4LM 0 3.362 -0.048 -0.193 1.00 0.00 C -HETATM 18 C3B P4LM 0 4.748 -0.670 -0.299 1.00 0.00 C -HETATM 19 O3C P4LM 0 5.700 0.378 -0.223 1.00 0.00 O -HETATM 20 C4A P4LM 0 7.036 -0.088 -0.315 1.00 0.00 C -HETATM 21 C4B P4LM 0 7.961 1.112 -0.162 1.00 0.00 C -HETATM 22 O4C P4LM 0 9.292 0.636 -0.253 1.00 0.00 O -HETATM 23 CZ P4LM 0 10.251 1.669 -0.110 1.00 0.00 C -CONECT 1 2 -CONECT 2 1 3 -CONECT 3 2 4 -CONECT 4 3 5 6 8 -CONECT 5 4 -CONECT 6 4 7 -CONECT 7 6 -CONECT 8 4 9 10 -CONECT 9 8 -CONECT 10 8 11 -CONECT 11 10 12 -CONECT 12 11 13 -CONECT 13 12 14 -CONECT 14 13 15 -CONECT 15 14 16 -CONECT 16 15 17 -CONECT 17 16 18 -CONECT 18 17 19 -CONECT 19 18 20 -CONECT 20 19 21 -CONECT 21 20 22 -CONECT 22 21 23 -CONECT 23 22 -END