Searched refs:mol_complex1SP (Results 1 – 9 of 9) sorted by relevance
/dports/biology/garlic/garlic-1.6/ |
H A D | align_complexes.c | 45 int AlignComplexes_ (MolComplexS *mol_complex1SP, MolComplexS *mol_complex2SP, in AlignComplexes_() argument 54 if (!mol_complex1SP) return -1; in AlignComplexes_() 58 if (mol_complex1SP->atomsN == 0) return -3; in AlignComplexes_() 62 y1_min = mol_complex1SP->atomSP->raw_atomS.y; in AlignComplexes_() 63 for (atomI = 0; atomI < mol_complex1SP->atomsN; atomI++) in AlignComplexes_() 66 curr_atomSP = mol_complex1SP->atomSP + atomI; in AlignComplexes_() 91 shift_vectorS.x = -1.0 * mol_complex1SP->geometric_center_vectorS.x; in AlignComplexes_() 93 shift_vectorS.z = -1.0 * mol_complex1SP->geometric_center_vectorS.z; in AlignComplexes_() 96 TranslateComplex_ (mol_complex1SP, &shift_vectorS, configSP, 0); in AlignComplexes_() 97 TranslatePlane_ (mol_complex1SP, &shift_vectorS); in AlignComplexes_() [all …]
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H A D | dock.c | 79 static MolComplexS *mol_complex1SP, *mol_complex2SP; in Dock_() local 115 mol_complex1SP = NULL; in Dock_() 165 mol_complex1SP = curr_mol_complexSP; in Dock_() 207 runtimeSP->mol_complex1SP = mol_complex1SP; in Dock_() 212 mol_complex1SP->move_bits = STRUCTURE_MASK | in Dock_() 224 AlignNormalVector_ (mol_complex1SP, configSP, 2, -1); in Dock_() 231 AlignComplexes_ (mol_complex1SP, mol_complex2SP, configSP); in Dock_()
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H A D | docking_project.c | 84 curr_mol_complexSP = runtimeSP->mol_complex1SP; in DockingProject_() 105 x0 = runtimeSP->mol_complex1SP->planeS.center_x[0] - in DockingProject_() 107 z0 = runtimeSP->mol_complex1SP->planeS.center_z[0] - in DockingProject_()
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H A D | draw_bottom.c | 68 curr_mol_complexSP = runtimeSP->mol_complex1SP; in DrawBottom_() 112 plane_center_x = runtimeSP->mol_complex1SP->planeS.center_x[0]; in DrawBottom_() 113 plane_center_z = runtimeSP->mol_complex1SP->planeS.center_z[0]; in DrawBottom_()
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H A D | draw_top.c | 100 plane_center_x = runtimeSP->mol_complex1SP->planeS.center_x[0]; in DrawTop_() 101 plane_center_z = runtimeSP->mol_complex1SP->planeS.center_z[0]; in DrawTop_()
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H A D | exclude_distant.c | 59 curr_mol_complexSP = runtimeSP->mol_complex1SP; in ExcludeDistant_()
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H A D | representative_atoms.c | 80 curr_mol_complexSP = runtimeSP->mol_complex1SP; in RepresentativeAtoms_()
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H A D | list_exposed_polar.c | 77 curr_mol_complexSP = runtimeSP->mol_complex1SP; in ListExposedPolarResidues_()
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H A D | typedefs.h | 1252 MolComplexS *mol_complex1SP; /* Involved in docking */ member 1321 MolComplexS *mol_complex1SP; member
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