Total results: 56
(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 ... Merge distance of atoms in C-C bond length units. 0.1. molFormat, Default file ...
Other Parameters. Parameter, Meaning, Default. escapeChar, Escape character ... Merge distance of atoms in C-C bond length units. 0.1. molFormat, Default file .
Metal atoms are exported with their valence electrons into MDL mol format. Consequently, 1 or 2 implicit hydrogens are added to the alkali metals and alkaline ...
Parameters and Events · Marvin Beans for Java · Marvin Services · Manage ... Add a new Chemical Terms field with the expression molFormat(MMS(7.4, "smiles")).
FASTA file format · Protein Data Bank (PDB) file format · Tripos SYBYL MOL and MOL2 formats · XYZ format · Gaussian related file ... 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” ...
Configure JChem-psql server. The following configuration parameters are available on PostgreSQL side: Parameter name, Default value, Description. chemaxon.
Protein Data Bank (PDB) file format · Tripos SYBYL MOL and MOL2 formats · Tripos Mol2 format · Tripos SYBYL MOL format · XYZ format · Gaussian related file ...
File format option is mol for MDL MOL file format and file format specific option is V3 to export the file in extended MOL format. try { MolExporter exporter = ...