x-plor guessing

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@390 a1961a4f-ab94-4bcc-80e8-33b5a54de466

src/PDB2Cif.cpp

@@ -3368,6 +3368,9 @@ void PDBFileParser::ConstructEntities()
 		}
 		}
 	}
 	}
 	
 	
+	// prune completely empty chains?
+	mChains.erase(remove_if(mChains.begin(), mChains.end(), [](auto& chain) { return chain.mResiduesSeen.empty() and chain.mSeqres.empty(); }), mChains.end());
+	
 	for (auto& chain: mChains)
 	for (auto& chain: mChains)
 	{
 	{
 		if (not (chain.mSeqres.empty() or chain.mResiduesSeen.empty()))
 		if (not (chain.mSeqres.empty() or chain.mResiduesSeen.empty()))

src/PDB2CifRemark3.cpp

@@ -1396,7 +1396,7 @@ bool Remark3Parser::parse(const string& expMethod, PDBRecord* r, cif::Datablock&
 		tryParser(new REFMAC5_Remark3Parser("REFMAC5", expMethod, r, db), false);
 		tryParser(new REFMAC5_Remark3Parser("REFMAC5", expMethod, r, db), false);
 		tryParser(new SHELXL_Remark3Parser("SHELXL", expMethod, r, db), false);
 		tryParser(new SHELXL_Remark3Parser("SHELXL", expMethod, r, db), false);
 		tryParser(new TNT_Remark3Parser("TNT", expMethod, r, db), false);
 		tryParser(new TNT_Remark3Parser("TNT", expMethod, r, db), false);
-		tryParser(new XPLOR_Remark3Parser("XPLOR", expMethod, r, db), false);
+		tryParser(new XPLOR_Remark3Parser("X-PLOR", expMethod, r, db), false);
 	}
 	}
 
 
 	bool result = false;
 	bool result = false;