Total results: 76
(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 ...
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 ...
FASTA file format · Protein Data Bank (PDB) file format · Tripos SYBYL MOL and MOL2 formats · XYZ format · Gaussian related file ... Tripos SYBYL MOL format.
Parameters and Events · Marvin Beans for Java · Marvin Services · Manage Marvin ... Add a new Chemical Terms field with the expression molFormat(MMS(7.4, "smiles") ...
Data Generators tab Generator and Generator Parameters · Chemical terms · User ... The data generation is not working for molFormat("smiles") in case of “isomer” ...
Description, Return value, Parameters, General context example(s), Molecule ... molFormat(tautomers(), "sdf", 2) returns the SDF format representation of ...
Configure JChem-psql server. The following configuration parameters are available on PostgreSQL side: Parameter name, Default value, Description. chemaxon.
-c "f1 OP value&f2 OP value..." Filtering by the values of fields in the case of SDF import. OP may be: =,<,>,<=,>= ; --mol-fields-to-records, Convert molecule ...
Protein Data Bank (PDB) file format · Tripos SYBYL MOL and MOL2 formats · Tripos Mol2 format · Tripos SYBYL MOL format · XYZ format · Gaussian related file ...