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Journal article

Retrieval of crystallographically-derived molecular geometry information.

Abstract:

The crystallographically determined bond length, valence angle, and torsion angle information in the Cambridge Structural Database (CSD) has many uses. However, accessing it by means of conventional substructure searching requires nontrivial user intervention. In consequence, these valuable data have been underutilized and have not been directly accessible to client applications. The situation has been remedied by development of a new program (Mogul) for automated retrieval of molecular geome...

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Publication status:
Published

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Publisher copy:
10.1021/ci049780b

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Journal:
Journal of chemical information and computer sciences
Volume:
44
Issue:
6
Pages:
2133-2144
Publication date:
2004-01-01
DOI:
ISSN:
0095-2338
URN:
uuid:2eb4f746-adb5-48b9-89ec-927374c369f6
Source identifiers:
104466
Local pid:
pubs:104466
Language:
English

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