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Searched refs:mol_complex1SP (Results 1 – 9 of 9) sorted by relevance

/dports/biology/garlic/garlic-1.6/
H A Dalign_complexes.c45 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_()
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H A Ddock.c79 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_()
H A Ddocking_project.c84 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_()
H A Ddraw_bottom.c68 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_()
H A Ddraw_top.c100 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_()
H A Dexclude_distant.c59 curr_mol_complexSP = runtimeSP->mol_complex1SP; in ExcludeDistant_()
H A Drepresentative_atoms.c80 curr_mol_complexSP = runtimeSP->mol_complex1SP; in RepresentativeAtoms_()
H A Dlist_exposed_polar.c77 curr_mol_complexSP = runtimeSP->mol_complex1SP; in ListExposedPolarResidues_()
H A Dtypedefs.h1252 MolComplexS *mol_complex1SP; /* Involved in docking */ member
1321 MolComplexS *mol_complex1SP; member