- specifications. An MDL
Molfile is a file
format for
holding information about the atoms, bonds,
connectivity and
coordinates of a molecule. The
molfile consists of...
-
writing at
least one file
format or line notation.
Examples of each
include Molfile and
simplified molecular input line
entry specification (SMILES), respectively...
-
Protein Data Bank (pdb),
Crystallographic Information File (cif), MDL
Molfile (mol), and
Chemical Markup Language (CML).
There is also a JavaScript-only...
- code MOL) Moldova, UNDP
country code .mol, the file
extension of the MDL
Molfile chemical file
format Mac-on-Linux, a
virtualization software MOL-360, a...
- chemical/x-macromodel-input
MacroModel Molecular Mechanics .mol chemical/x-mdl-
molfile MDL
Molfile .smiles, .smi chemical/x-daylight-smiles
Simplified molecular input...
-
adopt HELM by 2014. The
informatics company BIOVIA developed a
modified Molfile format called the Self-Contained
Sequence Representation (SCSR) A standard...
- MOD and TOD
MODULES Module GTK+ MOE same as
Modelica Model .mo. MOL MDL
Molfile RasMol MOL2
Tripos Sybyl MOL2
Format SYBYL,
RasMol MOP
MOPAC input file...
-
information on bond (edges) and atom
attributes (nodes), such as: MDL
Molfile, PDB, CML As a
linear string notation based on
depth first or
breadth first...
-
standardised software for
managing chemical structure databases." The MDL
Molfile is now an open file
format for
storing single-molecule data in the form...
-
Fingerprint calculation etc.
Chemical file
formats Chemical table file: MDL
Molfile, SD
format SMILES Gaussian Chemical Markup Language MOPAC OpenBabel - C++...
