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Searched refs:ResidueID (Results 1 – 8 of 8) sorted by relevance

/dports/science/mcstas-comps/mcstas-comps-2.5-src/contrib/
H A DSANSPDB.comp86 …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) {
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H A DSANSPDBFast.comp141 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 -
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/dports/science/mcxtrace-comps/mcxtrace-comps-1.2-src/contrib/SAXS/
H A DSAXSPDB.comp135 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) {
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H A DSAXSPDBFast.comp149 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 -
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/dports/science/mmdb2/mmdb2-2.0.20/mmdb2/
H A Dmmdb_atom.cpp3055 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()
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H A Dmmdb_atom.h527 pstr GetResidueID ( pstr ResidueID );
/dports/science/py-geometric/geometric-0.9.7.2/geometric/
H A Dmolecule.py3536 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),
/dports/biology/ncbi-toolkit/ncbi/biostruc/
H A Dmmdbapi.doc553 MoleculeID, ResidueID (same as Graph here), and AtomID.