期刊
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY
卷 65, 期 -, 页码 1074-1080出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S0907444909029436
关键词
-
资金
- NIH-NIGMS [P01GM063210]
- US Department of Energy [AC02-05CH11231]
The electronic Ligand Builder and Optimization Workbench (eLBOW) is a program module of the PHENIX suite of computational crystallographic software. It is designed to be a flexible procedure that uses simple and fast quantum-chemical techniques to provide chemically accurate information for novel and known ligands alike. A variety of input formats and options allow the attainment of a number of diverse goals including geometry optimization and generation of restraints.
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