Total results: 163
Tripos SYBYL MOL format ... SYBYL MOL import/export is beta level in the current version of Chemaxon products. Charges are neither imported, nor exported. Query ...
Tripos SYBYL MOL and MOL2 formats · Tripos Mol2 format · Tripos SYBYL MOL format.
@<TRIPOS>ATOM Import: x, y, z, atom_type, charge rounded to integer Export: atom_id(=atom index), atom_name, x, y, z, atom_type, subst_id=1, subst_name="noname" ...
MOL file compression · MDL MOL Import and Export Options · Default valence of ... Tripos SYBYL MOL and MOL2 formats · XYZ format · Gaussian related file ...
Molecule formats are able to store only chemically relevant information of the molecule. CML · CML Export Options · MDL MOL files · MDL MOLfiles, RGfiles, ...
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 ...
To save information about multipage molecular document, properties are stored as attached data. The field names and values are the following:
MarvinSketch and MarvinView can handle compressed molfiles that are typically five times smaller than their original, uncompressed version.
A large selection of industrially acknowledged standard chemical file formats is supported e.g. SDF, MRV, SMILES, MOL, and even (IUPAC or traditional) names to ...
molconvert -2:2:F1,5,6 mol caffeine.mol. Copy. Import a file as XYZ, do not try to recognize the file format: molconvert smiles "foo.xyz{xyz:}". Copy. Note ...