Total results: 28
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 sdf *.mol -o molecules.sdf. Copy. Printing the encodings of ...
Merge distance of atoms in C-C bond length units. 0.1. molFormat, Default file format: mol , csmol , smiles , cxsmiles , cml , pdb , pov , sybyl , or xyz . mol.
molconvert('structure','format'). Copy. where. structure = a Molecule in any of the following formats. format = mrv, mol, rgf, sdf, rdf, csmol, csrgf, cssdf ...
... molconvert 'smiles:T*' -s '3-rnethyl-l-methoxynaphthalene' -f name:ocrCorrection. systematic, on, enable the conversion of systematic names. common, on, enable ...
structure _text = a Molecule in any of the following formats: mrv, mol, rgf, sdf, rdf, csmol, csrgf, cssdf, csrdf, cml, smiles, cxsmiles, abbrevgroup, sybyl ...
... molecule was exported to Chemaxon compressed MOL format (CSMOL). SMILES ... documents including chemical names, and tripled on documents with few chemical names.
MDL Molfiles and SDfiles can be stored in compressed Molfile (csmol) form; the uncompressed form is stored by default. See Setting options in the ...
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 ...