Total results: 21
... (mol, csmol, smiles, ...) The following methods can be used to retrieve information on a structure: calcMolFormula, Calculates the formula of the molecule ...
Marvin Document (MRV), Document, mrv. Chemaxon, Chemaxon Object Notation (CXON), Document, cxon. Chemaxon, Chemaxon Compressed Molfile, Molecule, csmol csrxn ...
If you cannot find the Edit menu, then click on the upper left arrow in MarvinSketch, right click or double click the compound in MarvinView. Code : csmol , ...
Merge distance of atoms in C-C bond length units. 0.1. molFormat, Default file format: mol , csmol , smiles , cxsmiles ...
molconvert('structure','format'). Copy. where. structure = a Molecule in any of the following formats. format = mrv, mol, rgf, sdf, rdf, csmol, csrgf, cssdf ...
Document to Structure · JChem Base · JChem Choral · JChem Microservices · JChem ... mrv, mol, rgf, sdf, rdf, csmol, csrgf, cssdf, csrdf, cml, smiles, cxsmiles ...
Deuterium and tritium isotopes were converted to simple hydrogen atom if a molecule was exported to Chemaxon compressed MOL format (CSMOL). SMILES/SMARTS.
... molconvert 'smiles:T*' -s '3-rnethyl-l-methoxynaphthalene' -f name:ocrCorrection. systematic, on, enable the conversion of systematic names. common, on, enable ...
Document to Structure · JChem Base ... MDL Molfiles and SDfiles can be stored in compressed Molfile (csmol) form; the uncompressed form is stored by default.
The MolPrinter class is applied to render the molecules. In case the molecule coordinates are not given in the structure file, the 2D coordinates are ...