Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration

被引:894
作者
Grazulis, Saulius [1 ,2 ]
Daskevic, Adriana [1 ]
Merkys, Andrius [1 ]
Chateigner, Daniel [3 ,4 ,5 ]
Lutterotti, Luca [6 ]
Quiros, Miguel [7 ]
Serebryanaya, Nadezhda R. [8 ,9 ]
Moeck, Peter [10 ]
Downs, Robert T. [11 ]
Le Bail, Armel [12 ]
机构
[1] Vilnius State Univ, Inst Biotechnol, Dept Prot DNA Interact, LT-02241 Vilnius, Lithuania
[2] Vilnius State Univ, Fac Math & Informat, Dept Math Comp Sci, LT-03225 Vilnius, Lithuania
[3] Univ Caen Basse Normandie, CRISMAT, UMR 6508, F-14032 Caen, France
[4] ENSICAEN, F-14050 Caen, France
[5] CNRS, CRISMAT, UMR 6508, F-14050 Caen, France
[6] Univ Trento, Dept Mat Engn, I-38050 Trento, Italy
[7] Univ Granada, Fac Ciencias, Dept Quim Inorgan, E-18071 Granada, Spain
[8] Technol Inst Superhard & New Carbon Mat, Minist Educ & Sci Russian Federat, Troitsk 142190, Moscow Oblast, Russia
[9] Russian Acad Sci, Inst Spect, Troitsk 142190, Moscow Oblast, Russia
[10] Portland State Univ, Dept Phys, Portland, OR 97207 USA
[11] Univ Arizona, Dept Geosci, Tucson, AZ 85721 USA
[12] Univ Maine, Lab Oxydes & Fluorures, CNRS, UMR 6010, F-72085 Le Mans 9, France
关键词
RELATIONAL DATABASE; FILE; CIF;
D O I
10.1093/nar/gkr900
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Using an open-access distribution model, the Crystallography Open Database (COD, http://www.crystallography.net) collects all known 'small molecule / small to medium sized unit cell' crystal structures and makes them available freely on the Internet. As of today, the COD has aggregated similar to 150 000 structures, offering basic search capabilities and the possibility to download the whole database, or parts thereof using a variety of standard open communication protocols. A newly developed website provides capabilities for all registered users to deposit published and so far unpublished structures as personal communications or pre-publication depositions. Such a setup enables extension of the COD database by many users simultaneously. This increases the possibilities for growth of the COD database, and is the first step towards establishing a world wide Internet-based collaborative platform dedicated to the collection and curation of structural knowledge.
引用
收藏
页码:D420 / D427
页数:8
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