Total results: 143
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>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" ...
Tripos SYBYL MOL and MOL2 formats · Tripos Mol2 format · Tripos SYBYL MOL format.
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 ...
Tripos SYBYL MOL and MOL2 formats · XYZ format · Gaussian related file ... MOL V2000 files · Extended MOLfiles (V3000) · Reaction files (V2000) · Extended ...
If you have imported the molecule from a format that does not contain coordinates, but contain stereo information (e.g.: name, smiles), then to preserve the ...
Compressed molfiles can be created by choosing Edit / Source , then Format / Compressed Molfile in MarvinSketch or MarvinView. If you cannot find the Edit menu, ...
Import from SD file. Import from local SD/mol files containing added fields besides the chemical structure data. The content of all the added fields in the SD ...
MDL MOL files · MDL MOLfiles, RGfiles, SDfiles, Rxnfiles, RDfiles formats · Chemaxon specific information in MDL MOL files · MOL file compression · MDL MOL ...