| /dports/science/plumed/plumed2-2.7.2/src/tools/ |
| H A D | MolDataClass.cpp | 403 if(mypdb.getAtomName(tmpnum1[i])!="N"&&mypdb.getAtomName(tmpnum1[i])!="CA"&& in specialSymbol()
404 mypdb.getAtomName(tmpnum1[i])!="C"&&mypdb.getAtomName(tmpnum1[i])!="O"&& in specialSymbol()
405 mypdb.getAtomName(tmpnum1[i])!="HA"&&mypdb.getAtomName(tmpnum1[i])!="H"&& in specialSymbol()
406 mypdb.getAtomName(tmpnum1[i])!="HN"&&mypdb.getAtomName(tmpnum1[i])!="H1"&& in specialSymbol()
407 mypdb.getAtomName(tmpnum1[i])!="H2"&&mypdb.getAtomName(tmpnum1[i])!="H3"&& in specialSymbol()
408 mypdb.getAtomName(tmpnum1[i])!="OXT"&&mypdb.getAtomName(tmpnum1[i])!="OT1"&& in specialSymbol()
417 if(mypdb.getAtomName(tmpnum1[i])=="N"||mypdb.getAtomName(tmpnum1[i])=="CA"|| in specialSymbol()
418 mypdb.getAtomName(tmpnum1[i])=="C"||mypdb.getAtomName(tmpnum1[i])=="O"|| in specialSymbol()
419 mypdb.getAtomName(tmpnum1[i])=="HA"||mypdb.getAtomName(tmpnum1[i])=="H"|| in specialSymbol()
420 mypdb.getAtomName(tmpnum1[i])=="HN"||mypdb.getAtomName(tmpnum1[i])=="H1"|| in specialSymbol()
[all …]
|
| /dports/science/jmol/jmol-14.32.7/src/org/jmol/symmetry/ |
| H A D | CIPDataTracker.java | 53 : "-" + b.atoms[0].atom.getAtomName()) in getTrackerLine()
109 setCIPInfo(s, root.atom.getIndex(), root.atom.getAtomName()); in getRootTrackerResult()
134 return (b.rootSubstituent == null ? "" : root.atom.getAtomName() + "." in getTrackerKey()
135 + a.rootSubstituent.atom.getAtomName() + "-" in getTrackerKey()
136 + b.rootSubstituent.atom.getAtomName()); in getTrackerKey()
|
| /dports/games/flightgear/flightgear-2020.3.11/src/Scripting/ |
| H A D | ClipboardX11.cxx | 117 "target=" << getAtomName(target) in getText()
158 "ClipboardX11::getText: wrong target: " << getAtomName(target) in getText()
239 "selection=" << getAtomName(sel_req.selection) << ", " in handleSelectionRequest()
240 "target=" << getAtomName(sel_req.target) in handleSelectionRequest()
350 std::string getAtomName(Atom atom) const in getAtomName() function in ClipboardX11
|
| /dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/readers/xtal/ |
| H A D | MagresReader.java | 245 atom.atomName = getAtomName(tokens[pt++], tokens[pt++]); in readAtom()
261 private static String getAtomName(String name, String index) { in getAtomName() method in MagresReader
292 String atomName1 = getAtomName(tokens[1], tokens[2]); in readTensor()
294 String atomName2 = (isIsc ? getAtomName(tokens[pt++], tokens[pt++]) : null); in readTensor()
|
| /dports/science/jmol/jmol-14.32.7/src/org/jmol/minimize/forcefield/ |
| H A D | Calculations.java | 365 new Object[] { minAtoms[ia].atom.getAtomName(), in getConstraintList()
366 minAtoms[ib].atom.getAtomName(), in getConstraintList()
374 new Object[] { minAtoms[ia].atom.getAtomName(), in getConstraintList()
375 minAtoms[ib].atom.getAtomName(), in getConstraintList()
376 minAtoms[ic].atom.getAtomName(), in getConstraintList()
386 new Object[] { minAtoms[ia].atom.getAtomName(), in getConstraintList()
387 minAtoms[ib].atom.getAtomName(), in getConstraintList()
388 minAtoms[ic].atom.getAtomName(), in getConstraintList()
389 minAtoms[id].atom.getAtomName(), in getConstraintList()
|
| /dports/science/jmol/jmol-14.32.7/src/org/openscience/jmol/app/janocchio/ |
| H A D | NMR_Viewer.java | 28 public String getAtomName(int atomIndex) { in getAtomName() method in NMR_Viewer
29 return ms.at[atomIndex].getAtomName(); in getAtomName()
|
| /dports/x11-wm/hs-xmonad/xmonad-0.17.0/_cabal_deps/X11-1.10.2/Graphics/X11/Xlib/ |
| H A D | Atom.hsc | 17 getAtomName,
118 getAtomName :: Display -> Atom -> IO (Maybe String)
119 getAtomName dpy atom = do function
|
| /dports/x11/conlecterm/conlecterm-1.4.3.0/_cabal_deps/X11-1.9.1/Graphics/X11/Xlib/ |
| H A D | Atom.hsc | 17 getAtomName,
118 getAtomName :: Display -> Atom -> IO (Maybe String)
119 getAtomName dpy atom = do function
|
| /dports/x11/hs-xmobar/xmobar-0.39/_cabal_deps/X11-1.9.2/Graphics/X11/Xlib/ |
| H A D | Atom.hsc | 17 getAtomName,
118 getAtomName :: Display -> Atom -> IO (Maybe String)
119 getAtomName dpy atom = do function
|
| /dports/deskutils/hs-arbtt/arbtt-0.10.2/_cabal_deps/X11-1.9.1/Graphics/X11/Xlib/ |
| H A D | Atom.hsc | 17 getAtomName,
118 getAtomName :: Display -> Atom -> IO (Maybe String)
119 getAtomName dpy atom = do function
|
| /dports/science/jmol/jmol-14.32.7/src/org/jmol/util/ |
| H A D | SimpleNode.java | 15 String getAtomName(); in getAtomName() method
|
| H A D | Node.java | 38 public String getAtomName(); in getAtomName() method
|
| /dports/science/jmol/jmol-14.32.7/src/org/jmol/api/ |
| H A D | JmolAdapterAtomIterator.java | 48 abstract public String getAtomName(); in getAtomName() method
|
| /dports/science/jmol/jmol-14.32.7/src/org/jmol/modelsetbio/ |
| H A D | BioResolver.java | 328 htAtoms.put(iterAtom.getAtomName(), iterAtom.getXYZ()); in getLigandBondInfo()
428 String aName = atom.getAtomName(); in addHydrogens()
463 int factor = atom1.getAtomName().compareTo(atom2.getAtomName()); in addHydrogens()
640 String n1 = a1.getAtomName(); in finalizePdbMultipleBonds()
641 String n2 = a2.getAtomName(); in finalizePdbMultipleBonds()
682 if ((value = htKeysBad.get(a1.getGroup3(false) + ":" + a1.getAtomName())) == null in finalizePdbMultipleBonds()
683 && ((value = htKeysBad.get(a2.getGroup3(false) + ":" + a2.getAtomName())) == null)) in finalizePdbMultipleBonds()
|
| /dports/science/plumed/plumed2-2.7.2/src/core/ |
| H A D | GenericMolInfo.h | 65 std::string getAtomName(AtomNumber a)const;
|
| /dports/x11-wm/icewm/icewm-2.9.4/src/ |
| H A D | logevent.h | 33 const char* getAtomName(unsigned long atom);
|
| /dports/math/cvc4/CVC4-1.7/src/proof/ |
| H A D | resolution_bitvector_proof.cpp | 288 os << pm->getAtomName(bb_var, "bb"); in printTheoryLemmaProof()
391 os << pm->getAtomName(bb_var, "bb"); in printTheoryLemmaProof()
419 os << pm->getAtomName(bb_var, "bb"); in printTheoryLemmaProof()
|
| /dports/biology/jalview/jalview/src/jalview/ext/jmol/ |
| H A D | JmolParser.java | 234 if (atom.getAtomName().equalsIgnoreCase("CA") in convertSignificantAtoms()
235 || atom.getAtomName().equalsIgnoreCase("P")) in convertSignificantAtoms()
246 curAtom.name = atom.getAtomName(); in convertSignificantAtoms()
|
| /dports/lang/gcc6-aux/gcc-6-20180516/libjava/gnu/gcj/xlib/ |
| H A D | Display.java | 100 public final native String getAtomName(int atom); in getAtomName() method in Display
|
| /dports/lang/gcc48/gcc-4.8.5/libjava/gnu/gcj/xlib/ |
| H A D | Display.java | 100 public final native String getAtomName(int atom); in getAtomName() method in Display
|
| /dports/devel/zpu-gcc/zpu-toolchain-1.0/toolchain/gcc/libjava/gnu/gcj/xlib/ |
| H A D | Display.java | 100 public final native String getAtomName(int atom); in getAtomName() method in Display
|
| /dports/lang/gnat_util/gcc-6-20180516/libjava/gnu/gcj/xlib/ |
| H A D | Display.java | 100 public final native String getAtomName(int atom); in getAtomName() method in Display
|
| /dports/devel/arm-none-eabi-gcc492/gcc-4.9.2/libjava/gnu/gcj/xlib/ |
| H A D | Display.java | 100 public final native String getAtomName(int atom); in getAtomName() method in Display
|
| /dports/devel/zpu-binutils/zpu-toolchain-1.0/toolchain/gcc/libjava/gnu/gcj/xlib/ |
| H A D | Display.java | 100 public final native String getAtomName(int atom); in getAtomName() method in Display
|
| /dports/devel/mingw32-gcc/gcc-4.8.1/libjava/gnu/gcj/xlib/ |
| H A D | Display.java | 100 public final native String getAtomName(int atom); in getAtomName() method in Display
|