| /dports/math/cgal/CGAL-5.3/include/CGAL/Polynomial/ |
| H A D | resultant.h | 284 CGAL::Residue::set_current_prime(current_prime); in resultant_modularize()
300 q = CGAL::Residue::get_current_prime(); // implicit ! in resultant_modularize()
304 p = CGAL::Residue::get_current_prime(); // implicit! in resultant_modularize()
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| /dports/science/gabedit/GabeditSrc251_300720/src/Geometry/ |
| H A D | BuildCrystal.c | 147 dataDlg->G[j].Residue=g_strdup(geometry0[j].Residue); in init_variables()
173 dataDlg->G0[i].Residue=g_strdup(dataDlg->G[j].Residue); in init_variables()
221 sprintf(a->residueName,"%s",geometry0[i].Residue); in init_crystal()
250 g_free(dataDlg->G[i].Residue); in deleteDataDlg()
268 g_free(dataDlg->G0[i].Residue); in deleteDataDlg()
341 geometry0[n].Residue = g_strdup(a->residueName); in define_geometry_to_draw_from_crystal()
353 geometry[n].Residue = g_strdup(a->residueName); in define_geometry_to_draw_from_crystal()
423 geometry0[n].Residue = g_strdup(dataDlg->G[i].Residue); in define_geometry_to_draw()
440 geometry[n].Residue = g_strdup(geometry0[n].Residue); in define_geometry_to_draw()
683 dataDlg->G[j].Residue=g_strdup(dataDlg->G0[i].Residue); in add_fragment()
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| H A D | GeomXYZ.c | 538 tmpGeomXYZ[i].Residue = g_strdup(GeomXYZ[k].Residue); in row_deleted()
1081 if(GeomXYZ[Nc].Residue) g_free(GeomXYZ[Nc].Residue); in editedGeom()
1087 if(Nc != k && !strcmp(GeomXYZ[Nc].Residue,GeomXYZ[k].Residue)) in editedGeom()
3181 if(Nc != k && !strcmp(GeomXYZ[Nc].Residue,GeomXYZ[k].Residue)) in EditAtom()
4266 if(i>0&& strcmp(GeomXYZ[i].Residue,GeomXYZ[i-1].Residue)!=0) in save_hin_file()
4482 GeomXYZ[j].Residue, in save_cchemi_file()
4565 GeomXYZ[j].Residue, in save_gabedit_file()
5794 if(GeomXYZ[i].Residue) g_free(GeomXYZ[i].Residue); in read_gabedit_geoms_file()
13061 if(strcmp(GeomXYZ[j].Residue,GeomXYZ[j-1].Residue)) in read_mol2_tinker_file_no_add_list()
13070 if(!GeomXYZ[j].Residue) GeomXYZ[j].Residue=g_strdup(AtomCoord[0]); in read_mol2_tinker_file_no_add_list()
[all …]
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| /dports/lang/yap/yap-6.2.2/library/MYDDAS/ |
| H A D | myddas_prolog2sql_optimizer.ypp | 94 delete(RelTotal,rel(Name,Relation),Residue),
95 projection_term_analysis(Tail,FromFinal,Residue,RelTotal1).
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| /dports/math/cgal/CGAL-5.3/include/CGAL/ |
| H A D | int.h | 80 typedef Residue Residue_type;
135 typedef Residue Residue_type;
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| /dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/csg-da5c1dc/src/libcsg/ |
| H A D | cgmoleculedef.cc | 41 class Residue;
120 const Residue &res = top.CreateResidue(name_); in CreateMolecule()
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| /dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/src/libcsg/ |
| H A D | cgmoleculedef.cc | 41 class Residue;
120 const Residue &res = top.CreateResidue(name_); in CreateMolecule()
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| /dports/science/py-pymol/pymol-open-source-2.4.0/examples/cookbook/ |
| H A D | ss_xfer.pml | 3 # over to a target protein. Residue identifiers must match perfectly.
|
| /dports/misc/py-xgboost/xgboost-1.5.1/src/metric/ |
| H A D | metric_common.h | 83 double Residue() const { return residue_sum_; } in Residue() function
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| /dports/misc/xgboost/xgboost-1.5.1/src/metric/ |
| H A D | metric_common.h | 83 double Residue() const { return residue_sum_; } in Residue() function
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| /dports/biology/ncbi-cxx-toolkit/ncbi_cxx--25_2_0/src/app/cn3d/ |
| H A D | show_hide_manager.hpp | 48 class Residue;
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| H A D | style_manager.hpp | 231 class Residue;
268 bool GetAtomStyle(const Residue *residue, const AtomPntr& atom,
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| H A D | structure_set.cpp | 866 if (r->second->alphaID == Residue::NO_ALPHA_ID) continue; in CenterViewOnStructure()
908 if (r->second->alphaID == Residue::NO_ALPHA_ID) continue; in CenterViewOnAlignedResidues()
942 unsigned int StructureSet::CreateName(const Residue *residue, int atomID) in CreateName()
949 bool StructureSet::GetAtomFromName(unsigned int name, const Residue **residue, int *atomID) const in GetAtomFromName()
960 const Residue *residue; in SelectedAtom()
1489 const Residue::AtomInfoMap& atomInfos = r->second->GetAtomInfos(); in SelectByDistance()
1490 Residue::AtomInfoMap::const_iterator a, ae = atomInfos.end(); in SelectByDistance()
1503 typedef vector < const Residue * > ResidueList; in SelectByDistance()
1533 const Residue::AtomInfoMap& atomInfos = (*u)->GetAtomInfos(); in SelectByDistance()
1534 Residue::AtomInfoMap::const_iterator a, ae = atomInfos.end(); in SelectByDistance()
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| H A D | chemical_graph.hpp | 86 const Residue::AtomInfo * GetAtomInfo(const AtomPntr& atom) const in GetAtomInfo()
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| /dports/biology/emboss/EMBOSS-6.6.0/emboss/acd/ |
| H A D | tmap.acd | 32 gxtitle: "Residue number"
|
| /dports/science/py-rmf/rmf-1.3.1/ |
| H A D | ChangeLog.md | 40 - RMF::decorator::Residue::get_residue_index() and
41 RMF::decorator::Residue::get_residue_type() replace the versions
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| /dports/science/rmf/rmf-1.3.1/ |
| H A D | ChangeLog.md | 40 - RMF::decorator::Residue::get_residue_index() and
41 RMF::decorator::Residue::get_residue_type() replace the versions
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| /dports/biology/py-biopython/biopython-1.79/Tests/ |
| H A D | test_PDB_internal_coords.py | 29 from Bio.PDB.Residue import Residue
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| /dports/math/gap/gap-4.11.0/pkg/resclasses-4.7.2/lib/ |
| H A D | fixedrep.gd | 98 ## Residue classes with fixed representatives have the property
129 #O Residue( <cl> ) . . . residue of residue class with fixed representative
132 DeclareOperation( "Residue", [ IsResidueClassWithFixedRepresentative ] );
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| /dports/math/vtk8/VTK-8.2.0/IO/Geometry/ |
| H A D | vtkMoleculeReaderBase.h | 90 vtkIdTypeArray *Residue; variable
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| /dports/math/vtk6/VTK-6.2.0/IO/Geometry/ |
| H A D | vtkMoleculeReaderBase.h | 81 vtkIdTypeArray *Residue; variable
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| /dports/science/gchemutils/gnome-chemistry-utils-0.14.16/libs/gcp/ |
| H A D | document.cc | 1340 void Document::SaveResidue (Residue const *r, xmlNodePtr node) in SaveResidue()
1376 gcu::Residue const *Document::GetResidue (char const *symbol, bool *ambiguous) in GetResidue()
1387 gcu::Residue *Document::CreateResidue (char const *name, char const *symbol, gcu::Molecule *molecul… in CreateResidue()
1389 Residue *res = NULL; in CreateResidue()
1390 Residue const *r; in CreateResidue()
1422 r = static_cast <Residue const*> (Residue::GetResidue (symbol, &ambiguous)); in CreateResidue()
1424 res = new Residue (name, symbol, dynamic_cast <Molecule *> (molecule), NULL); in CreateResidue()
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| /dports/science/openbabel/openbabel-3.1.1/scripts/php/ |
| H A D | baphpel.php | 246 $out[] = new Residue($this -> OBMol -> GetResidue($i));
483 $out = new Residue($this -> OBAtom -> GetResidue());
507 class Residue { class
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| /dports/math/vtk9/VTK-9.1.0/IO/Chemistry/ |
| H A D | vtkMoleculeReaderBase.h | 130 vtkSmartPointer<vtkIdTypeArray> Residue; variable
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| /dports/science/py-oddt/oddt-0.7/oddt/toolkits/ |
| H A D | ob.py | 464 residue = Residue(atom.OBAtom.GetResidue())
800 return Residue(self.OBAtom.GetResidue())
845 class Residue(object): class
910 yield Residue(self.OBMol.GetResidue(i))
917 return Residue(self.OBMol.GetResidue(i))
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