Searched refs:getNamedAtomFromResidueAndChain (Results 1 – 3 of 3) sorted by relevance
| /dports/science/plumed/plumed2-2.7.2/src/tools/ |
| H A D | MolDataClass.cpp | 312 numbers.push_back(mypdb.getNamedAtomFromResidueAndChain("N",resnum,chainid)); in specialSymbol()
313 numbers.push_back(mypdb.getNamedAtomFromResidueAndChain("CA",resnum,chainid)); in specialSymbol()
314 numbers.push_back(mypdb.getNamedAtomFromResidueAndChain("C",resnum,chainid)); in specialSymbol()
316 numbers.push_back(mypdb.getNamedAtomFromResidueAndChain("N",resnum,chainid)); in specialSymbol()
317 numbers.push_back(mypdb.getNamedAtomFromResidueAndChain("CA",resnum,chainid)); in specialSymbol()
318 numbers.push_back(mypdb.getNamedAtomFromResidueAndChain("C",resnum,chainid)); in specialSymbol()
323 numbers.push_back(mypdb.getNamedAtomFromResidueAndChain("N",resnum,chainid)); in specialSymbol()
324 numbers.push_back(mypdb.getNamedAtomFromResidueAndChain("CA",resnum,chainid)); in specialSymbol()
327 numbers.push_back(mypdb.getNamedAtomFromResidueAndChain("N",resnum,chainid)); in specialSymbol()
451 numbers.push_back(mypdb.getNamedAtomFromResidueAndChain("P",resnum,chainid)); in specialSymbol()
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| H A D | PDB.h | 108 …AtomNumber getNamedAtomFromResidueAndChain( const std::string& aname, const unsigned& resnum, cons…
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| H A D | PDB.cpp | 462 AtomNumber PDB::getNamedAtomFromResidueAndChain( const std::string& aname, const unsigned& resnum, … in getNamedAtomFromResidueAndChain() function in PLMD::PDB
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