- 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...
Expand abstract - Publication status:
- Published
- 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
- Copyright date:
- 2004
Journal article
Retrieval of crystallographically-derived molecular geometry information.
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