结构数据库

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结构数据库

· 物性、质谱、晶体结构数据库(Kelvin, Dalton, Angstrom), JST

This is an experimental distribution of Japan Science and Technology Corporation. The publications JST got the permission to include some portions of them into the databases are shown below. You are refered to the copyright notices appearing in ...
http://factrio.jst.go.jp/

· 剑桥晶体结构数据库(CSD, 有机、金属有机物)

The Cambridge Structural Database (CSD) contains crystal structure information for over 257,000 organic and metal organic compounds. All of these crystal structures have been analysed using X-ray or neutron diffraction techniques.
http://www.ccdc.cam.ac.uk/

· 美国国家医学图书馆：化合物结构数据库系列(SIS)

The Specialized Information Services (SIS) Division of the National Library of Medicine (NLM) is responsible for information resources and services in toxicology, environmental health, chemistry, HIV/AIDS, and specialized topics in minority health.
http://sis.nlm.nih.gov/

· ILL's 3D structure gallery in VRML

These pages illustrate the 3D structures of inorganic materials in the ILL's ICSD-for-WWW database; they were featured in Science (USA) 12 March 1999 and La Recherche (France) October 1999, where they were described as "pedagogique et passionnant".
http://www.ill.fr/dif/3D-crystals/index.html

· IMB Jena Image Library of Biological Macromolecules

An introduction to structural biology and an interface to the structure databases NDB and PDB with lots of images and VRML scenes.
http://www.imb-jena.de/IMAGE.html

· RNA Structure Database (RNA 结构数据库)

RNABase consolidates all RNA containing structures from both the NDB and RCSB (formerly PDB). RNA Structure Database Description of structures, function, origin, experimental techniques.
http://www.rnabase.org/

· 化学分子模型 (分子三维结构显示图集)

This web is maintained by Dr. Tom Zamis from Chemistry Department at University of Wisconsin-Stevens Point. It offers a wide range of links to a collection of chemical structure files in PDB (Protein Data Bank) format that will be displayed in 3D ...
http://www.uwsp.edu/chemistry/pdbs/

· 无机分子3D结构及物性参数库 (Banque de molécules, France)

The site collects 3D structures of inorganic molecules in pdb format, and information of their bond lengths and bond angles.
http://www.faidherbe.org/site/cours/dupuis/banque.htm

· Crystallography Open Database (晶体结构数据)

A small team of engaged scientists with some experience in database and software design coordinate the Crystallography Open Database (COD) project based on free and automated software
http://www.crystallography.net/

· ChemIDplus (化合物别名、结构式字典库)

Subject: Dictionary of chemicals Features: 366545 Records, 143829 Structures Updates: Approximately quarterly with about 4,000 records added per update; the file contains about 344,000 records. Special Features: CHEMID is a chemical dict ...
http://chem.sis.nlm.nih.gov/chemidplus/setupenv.html

· 大分子结构数据库MMDB (Molecular Modelling Database)

The Molecular Modeling Database (MMDB) contains 3D macromolecular structures, including proteins and polynucleotides. MMDB contains over 28,000 structures and is linked to the rest of the NCBI databases, including sequences, bibliographic citation ...
http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=Structure

· ZINC (330万化合物3D结构)

ZINC is a free database of commercially-available compounds for virtual screening. ZINC contains over 3.3 million compounds in ready-to-dock, 3D formats.
http://blaster.docking.org/zinc/

· 美国印地安那大学测试的X光衍射晶体结构数据

This is one of the many sites in the Reciprocal Net Site Network and is operated by the Indiana University Molecular Structure Center. Detailed crystallographical data of 1348 samples wrer available for browse or search at the end of 2002.
http://bl-chem-iumsc110.chem.indiana.edu/recipnet/index.jsp