Searched refs:ResidueID (Results 1 – 8 of 8) sorted by relevance
/dports/science/mcstas-comps/mcstas-comps-2.5-src/contrib/ |
H A D | SANSPDB.comp | 86 …le x = (Protein->Beads[ResidueID].x * Protein->Beads[ResidueID].ScatteringLength - RhoSolvent * Vo… 87 …le y = (Protein->Beads[ResidueID].y * Protein->Beads[ResidueID].ScatteringLength - RhoSolvent * Vo… 88 …le z = (Protein->Beads[ResidueID].z * Protein->Beads[ResidueID].ScatteringLength - RhoSolvent * Vo… 222 int ResidueID; 236 ResidueID = 0; 240 if (ResidueID != PreviousResidueID && ResidueID != 0) { 244 PreviousResidueID = ResidueID; 271 int ResidueID = 0; 323 ResidueID = 0; 327 if (ResidueID != PreviousResidueID && ResidueID != 0) { [all …]
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H A D | SANSPDBFast.comp | 141 int ResidueID; 155 ResidueID = 0; 159 if (ResidueID != PreviousResidueID && ResidueID != 0) { 163 PreviousResidueID = ResidueID; 225 int ResidueID = 0; 277 ResidueID = 0; 281 if (ResidueID != PreviousResidueID && ResidueID != 0) { 317 PreviousResidueID = ResidueID; 405 const double x = (Protein->Beads[ResidueID].x * Protein->Beads[ResidueID].ScatteringLength - 408 const double y = (Protein->Beads[ResidueID].y * Protein->Beads[ResidueID].ScatteringLength - [all …]
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/dports/science/mcxtrace-comps/mcxtrace-comps-1.2-src/contrib/SAXS/ |
H A D | SAXSPDB.comp | 135 const double x = (Protein->Beads[ResidueID].x * Protein->Beads[ResidueID].ScatteringLength - 138 const double y = (Protein->Beads[ResidueID].y * Protein->Beads[ResidueID].ScatteringLength - 141 const double z = (Protein->Beads[ResidueID].z * Protein->Beads[ResidueID].ScatteringLength - 236 int ResidueID; 250 ResidueID = 0; 254 if (ResidueID != PreviousResidueID && ResidueID != 0) { 258 PreviousResidueID = ResidueID; 285 int ResidueID = 0; 337 ResidueID = 0; 341 if (ResidueID != PreviousResidueID && ResidueID != 0) { [all …]
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H A D | SAXSPDBFast.comp | 149 int ResidueID; 163 ResidueID = 0; 167 if (ResidueID != PreviousResidueID && ResidueID != 0) { 171 PreviousResidueID = ResidueID; 233 int ResidueID = 0; 285 ResidueID = 0; 289 if (ResidueID != PreviousResidueID && ResidueID != 0) { 325 PreviousResidueID = ResidueID; 413 const double x = (Protein->Beads[ResidueID].x * Protein->Beads[ResidueID].ScatteringLength - 416 const double y = (Protein->Beads[ResidueID].y * Protein->Beads[ResidueID].ScatteringLength - [all …]
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/dports/science/mmdb2/mmdb2-2.0.20/mmdb2/ |
H A D | mmdb_atom.cpp | 3055 ResidueID[0] = char(0); in GetResidueID() 3059 else strcpy ( ResidueID,"/-/" ); in GetResidueID() 3060 strcat ( ResidueID,chain->chainID ); in GetResidueID() 3062 strcpy ( ResidueID,"/-/-" ); in GetResidueID() 3063 ParamStr ( ResidueID,pstr("/"),seqNum ); in GetResidueID() 3064 strcat ( ResidueID,"(" ); in GetResidueID() 3065 strcat ( ResidueID,name ); in GetResidueID() 3066 strcat ( ResidueID,")" ); in GetResidueID() 3068 strcat ( ResidueID,"." ); in GetResidueID() 3069 strcat ( ResidueID,insCode ); in GetResidueID() [all …]
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H A D | mmdb_atom.h | 527 pstr GetResidueID ( pstr ResidueID );
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/dports/science/py-geometric/geometric-0.9.7.2/geometric/ |
H A D | molecule.py | 3536 ResidueID=np.array([x.resSeq for x in X],'int') 3539 ResidueID=ResidueID-ResidueID[0]+1 3589 … "atomname":[str(i) for i in AtomNames], "resid":list(ResidueID), "resname":list(ResidueNames),
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/dports/biology/ncbi-toolkit/ncbi/biostruc/ |
H A D | mmdbapi.doc | 553 MoleculeID, ResidueID (same as Graph here), and AtomID.
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