MDL molfile Format

An MDL Molfile is a file format for holding information about the atoms, bonds, connectivity and coordinates of a molecule. Each molfile describes a single molecular structure which can contain disjoint fragments. The V3000 molfile and V3000 rxnfile formats are the latest versions of the specification. V3000 is a superset of V2000 in a different format. A connection table (Ctab) contains information describing the structural relationships and properties of a collection of atoms. While still commonly called a molfile, the specification has changed ownership as the companies who first created and then owned the specification changed. MDL Information Systems (MDL) originally developed the format, which is currently owned by Dassault Systemes. Please note that a public, official homepage cannot be found, and therefore an alternative location has been provided.

Webpage:
http://c4.cabrillo.edu/404/ctfile.pdf

Publications:

Tags:

molecular entity molecular structure x-ray crystallography assay

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