What Are CTfile and CTAB

This section provides a quick introduction of the SDF (Structure Data File) format. An example of SDF file is also provided.

What CTfile (Chemical Table File)? CTfile referes to six file formats that are used to store chemical information in a table style. All CTfile formats shares a common structure called CTAB (Connection Table), which describes the structural relationships and properties of a collection of atoms.

Below are short descriptions of CTfile formats:

CTfile formats have 2 versions: V3000 and V2000.

For detailed specifications, see "CTfile Formats" at download.accelrys.com/freeware/ctfile-formats/.

Table of Contents

 About This Book

 Introduction of Molecules

 Molecule Names and Identifications

 Protein and Amino Acid

 Nucleobase, Nucleoside, Nucleotide, DNA and RNA

 Gene and Chromosome

 Protein Kinase (PK)

SDF (Structure Data File)

 What Is SDF (Structure Data File)

 SDF Format Specification

What Are CTfile and CTAB

 Convert SDF to SVG using Open Babel

 "sdf2svg" - PHP Script to Convert SDF to SVG

 RDKit: Open-Source Cheminformatics Software

 PyMol Installation

 PyMol GUI and CLI

 PyMol Selections

 PyMol Editing Functions

 PyMol Measurement Functions

 PyMol Movie Functions

 PyMol Python Integration

 PyMol Object Functions

 ChEMBL Database - European Molecular Biology Laboratory

 PubChem Database - National Library of Medicine

 PDB (Protein Data Bank)

 INSDC (International Nucleotide Sequence Database Collaboration)

 Resources and Tools

 Molecule Related Terminologies


 Full Version in PDF/EPUB