Total results: 45
(Use an editable parameter to forbid the editing of the molecules.) true. molFormat, Default file format: mol , csmol , smiles , cxsmiles , cml , pdb , pov ...
Other Parameters. Parameter, Meaning, Default. escapeChar, Escape character ... molFormat, Default file format: mol , csmol , smiles , cxsmiles , cml , pdb ...
Tripos SYBYL MOL and MOL2 formats · Tripos Mol2 format · Tripos SYBYL MOL format.
Data Generators tab Generator and Generator Parameters · Chemical terms · User ... The data generation is not working for molFormat("smiles") in case of “isomer” ...
Metal atoms are exported with their valence electrons into MDL mol format. ... Above : Metals exported to MDL mol file using default settings. images ...
Table View Example with Parameters · JFileChooser Example · Image Generation ... Tripos SYBYL MOL format · XYZ format · XYZ import and export options · Gaussian ...
Configure JChem-psql server. The following configuration parameters are available on PostgreSQL side: Parameter name, Default value, Description. chemaxon.
Molecule Context molFormat("mrv") returns the Chemaxon Marvin Document format representation of the input molecule molFormat(tautomers(), "sdf", 2) returns ...
... ), atom_name, x, y, z, atom_type, subst_id=1, subst_name="noname", charge (integer). @<TRIPOS>BOND See also. Tripos SYBYL MOL format · Basic export options.
the (specified) atom count with the given parameters, no parameter means all ... molFormat('mrv') returns the MRV representation of the input molecule ...