Total results: 24
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 , ...
... (mol, csmol, smiles, ...) The following methods can be used to retrieve information on a structure: calcMolFormula, Calculates the formula of the molecule ...
Molecule, csmol csrxn cssdf csrdf. Chemaxon, Chemaxon Extended SMILES, Molecule ... molconvert -2:2:F1,5,6 mol caffeine.mol. Copy. Import a file as XYZ, do ...
Merge distance of atoms in C-C bond length units. 0.1. molFormat, Default file format: mol , csmol , smiles , cxsmiles ...
(Use an editable parameter to forbid the editing of the molecules.) true. 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.