OS X how download Visualize and build molecular structures.


Main category / Education
Sub category / Science
Developer / UNamur
Filesize / 21811
Title / DrawMol


https://tobiiiaas.blogspot.com/?to=aHR0cHM6Ly9tYWNwa2cuaWN1Lz9pZD01OTMyMCZzPTRwb3J0Zm9saW8ma3c9RHJhd01vbCsxLjQuMzA= DrawMol 1.4.30

Completely uppercase element symbols are now correctly handled when reading in MDL CT files.
4. Draw structure on the fly using Ajax.
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The Hit List includes sync service to sync with The Hit List for iPhone and The Hit List for Apple Watch (sold separately on the iOS App Store) or other Macs.
Hi Alexey, It kind of looks like you aren't linking against any of the RDKit libraries. Based on the errors above, I'd guess you need at least -lSmilesParse -lDepictor -lGraphMol -lDataStructs -lRDGeometryLib -lRDGeneral -greg On Fri, Jan 31, 2014 at 10:28 AM, Alexey Chernobrovkin wrote: > Dear all, > > I've just tried to build simple GUI in Xcode using rdkit libraries. > Unfortunately I've got link errors. I tried to use homebrew installed > version, also compiled sources from github by myself. Any idea? > > PS > Python bindings work perfectly on my computer. > If I don' include MolDrowing.h and DrawingToSVG.h project is linked > without errors. > > simple code: > > #include "testmol.h" > #include > #include > #include > #include > #include > > #include > //#include > > > Error listing: > > Ld > /Users/black/Library/Developer/Xcode/DerivedData/SMILES_Viewer-ftbnkyhvxqageqflovukoyyuiamy/Build/Products/Debug/SMILES\ > \ Viewer normal x86_64 > cd "/Users/black/projects/SMILES Viewer" > setenv MACOSX_DEPLOYMENT_TARGET 10.9 > > /Applications/ > -arch x86_64 -isysroot > /Applications/ > -L/Users/black/Library/Developer/Xcode/DerivedData/SMILES_Viewer-ftbnkyhvxqageqflovukoyyuiamy/Build/Products/Debug > -L/Users/black/projects/rdkit/build/lib > -L/usr/local/Cellar/boost/1.54.0/lib > -F/Users/black/Library/Developer/Xcode/DerivedData/SMILES_Viewer-ftbnkyhvxqageqflovukoyyuiamy/Build/Products/Debug > -filelist > /Users/black/Library/Developer/Xcode/DerivedData/SMILES_Viewer-ftbnkyhvxqageqflovukoyyuiamy/Build/Intermediates/SMILES\ > \ \ > nkFileList -mmacosx-version-min=10.9 -fobjc-arc > -fobjc-link-runtime -stdlib=libstdc++ -framework Cocoa -Xlinker > -dependency_info -Xlinker > /Users/black/Library/Developer/Xcode/DerivedData/SMILES_Viewer-ftbnkyhvxqageqflovukoyyuiamy/Build/Intermediates/SMILES\ > \ \ > -o > /Users/black/Library/Developer/Xcode/DerivedData/SMILES_Viewer-ftbnkyhvxqageqflovukoyyuiamy/Build/Products/Debug/SMILES\ > \ Viewer > > Undefined symbols for architecture x86_64: > "Invar::operator RDGeom::Point3D::operator[](unsigned int) const in testmol.o > RDGeom::Point3D::operator[](unsigned int) in testmol.o > RDGeom::Point2D::operator[](unsigned int) const in testmol.o > RDGeom::Point2D::operator[](unsigned int) in testmol.o > "RDKit::ROMol::initFromOther(RDKit::ROMol const&, bool)", referenced > from: > RDKit::RWMol::RWMol(RDKit::ROMol const&, bool) in testmol.o > "RDKit::ROMol::initMol()", referenced from: > RDKit::ROMol::ROMol() in testmol.o > "RDKit::MolOps::Kekulize(RDKit::RWMol&, bool, unsigned int)", referenced > from: > RDKit::Drawing::MolToDrawing(RDKit::ROMol const&, std::vector std::allocator > const*, bool) in testmol.o > "RDKit::MolOps::findSSSR(RDKit::ROMol const&, > std::vector >, > std::allocator > > >*)", referenced > from: > RDKit::Drawing::DrawMol(RDKit::ROMol const&, int, std::vector std::allocator > const*, unsigned int, double, double, double) in > testmol.o > "RDLog::toStream(std::ostream&)", referenced from: > RDGeom::Point3D::operator[](unsigned int) const in testmol.o > RDGeom::Point3D::operator[](unsigned int) in testmol.o > RDGeom::Point2D::operator[](unsigned int) const in testmol.o > RDGeom::Point2D::operator[](unsigned int) in testmol.o > "RDGeom::operator/(RDGeom::Point2D const&, double)", referenced from: > RDKit::Drawing::DrawMol(RDKit::ROMol const&, int, std::vector std::allocator > const*, unsigned int, double, double, double) in > testmol.o > "RDGeom::operator-(RDGeom::Point2D const&, RDGeom::Point2D const&)", > referenced from: > RDKit::Drawing::DrawMol(RDKit::ROMol const&, int, std::vector std::allocator > const*, unsigned int, double, double, double) in > testmol.o > "RDGeom::operator*(RDGeom::Point2D const&, double)", referenced from: > RDKit::Drawing::DrawMol(RDKit::ROMol const&, int, std::vector std::allocator > const*, unsigned int, double, double, double) in > testmol.o > "RDGeom::operator+(RDGeom::Point2D const&, RDGeom::Point2D const&)", > referenced from: > RDKit::Drawing::DrawMol(RDKit::ROMol const&, int, std::vector std::allocator > const*, unsigned int, double, double, double) in > testmol.o > "RDDepict::compute2DCoords(RDKit::ROMol&, std::map std::less, std::allocator > > > const*, bool, bool, unsigned int, unsigned int, int, bool)", referenced > from: > RDKit::Drawing::MolToDrawing(RDKit::ROMol const&, std::vector std::allocator > const*, bool) in testmol.o > "RDKit::Atom::getTotalNumHs(bool) const", referenced from: > RDKit::Drawing::detail::getAtomSymbolAndOrientation(RDKit::Atom > const&, RDGeom::Point2D) in testmol.o > "RDKit::Atom::getDegree() const", referenced from: > RDKit::Drawing::detail::getAtomSymbolAndOrientation(RDKit::Atom > const&, RDGeom::Point2D) in testmol.o > "RDKit::Atom::getSymbol() const", referenced from: > RDKit::Drawing::detail::getAtomSymbolAndOrientation(RDKit::Atom > const&, RDGeom::Point2D) in testmol.o > "RDKit::Bond::getOtherAtomIdx(unsigned int) const", referenced from: > RDKit::Drawing::DrawMol(RDKit::ROMol const&, int, std::vector std::allocator > const*, unsigned int, double, double, double) in > testmol.o > "RDKit::Dict::getVal(std::string const&, std::string&) const", > referenced from: > std::string RDKit::Dict::getVal(char const*, > std::string&) const in testmol.o > "RDKit::ROMol::getNumAtoms(bool) const", referenced from: > RDKit::Drawing::DrawMol(RDKit::ROMol const&, int, std::vector std::allocator > const*, unsigned int, double, double, double) in > testmol.o > "RDKit::ROMol::getVertices() const", referenced from: > RDKit::Drawing::DrawMol(RDKit::ROMol const&, int, std::vector std::allocator > const*, unsigned int, double, double, double) in > testmol.o > "RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const", referenced from: > RDKit::Drawing::DrawMol(RDKit::ROMol const&, int, std::vector std::allocator > const*, unsigned int, double, double, double) in > testmol.o > "RDKit::ROMol::getConformer(int) const", referenced from: > RDKit::Drawing::DrawMol(RDKit::ROMol const&, int, std::vector std::allocator > const*, unsigned int, double, double, double) in > testmol.o > "RDKit::ROMol::getAtomWithIdx(unsigned int) const", referenced from: > RDKit::Drawing::DrawMol(RDKit::ROMol const&, int, std::vector std::allocator > const*, unsigned int, double, double, double) in > testmol.o > "RDKit::RingInfo::numBondRings(unsigned int) const", referenced from: > RDKit::Drawing::DrawMol(RDKit::ROMol const&, int, std::vector std::allocator > const*, unsigned int, double, double, double) in > testmol.o > "RDKit::Conformer::getPositions() const", referenced from: > RDKit::Drawing::DrawMol(RDKit::ROMol const&, int, std::vector std::allocator > const*, unsigned int, double, double, double) in > testmol.o > "vtable for RDKit::ROMol", referenced from: > RDKit::ROMol::ROMol() in testmol.o > RDKit::ROMol::~ROMol() in testmol.o > NOTE: a missing vtable usually means the first non-inline virtual member > function has no definition. > "vtable for RDKit::RWMol", referenced from: > RDKit::RWMol::RWMol(RDKit::ROMol const&, bool) in testmol.o > NOTE: a missing vtable usually means the first non-inline virtual member > function has no definition. > "_rdErrorLog", referenced from: > RDGeom::Point3D::operator[](unsigned int) const in testmol.o > RDGeom::Point3D::operator[](unsigned int) in testmol.o > RDGeom::Point2D::operator[](unsigned int) const in testmol.o > RDGeom::Point2D::operator[](unsigned int) in testmol.o > ld: symbol(s) not found for architecture x86_64 > clang: error: linker command failed with exit code 1 (use -v to see > invocation) > > > > ------------------------------------------------------------------------------ > WatchGuard Dimension instantly turns raw network data into actionable > security intelligence. It gives you real-time visual feedback on key > security issues and trends. Skip the complicated setup - simply import > a virtual appliance and go from zero to informed in seconds. > > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@... > > >
* New support form.
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Best Mojave https://macpkg.icu/?id=59320&kw=DrawMol_version_1.3.160_UDNjJ.zip [21156 KB]
New for Mac mini https://macpkg.icu/?id=59320&kw=DrawMol_vers_1.3.5_UdQJ.zip [25736 KB]


TIFF AND EPS FORMAT SUPPORT: Chemical structures can be exported to TIFF or EPS image formats in MarvinSketch and MarvinView
【Paint function enhancement】
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European Molecular Biology Laboratory - EMBL-EBI

(24646 kb) Get VERS 1.1.10 DRAWMOL PQLI 1.3.330 Language German
(19411 kb) Torrent DrawMol ver 1.3.255 kdeid 1.3.285 for MacOS
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(21156 kb) Free DrawMol vers 1.2.20 Z7q 1.3.110 for High Sierra
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