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… on a regular basis as they are received and these uncurated structures will appear in WebCSD as a separate database designated "CSD X-Press". The intention …
… not, as yet, been carried out in this area. Some initial research has been carried out, see for example: Y. Li, J. Shen, X. Sun, W. Li, G. Liu and Y. Tang, J …
… docking, including GRAMM-X, HADDOCK, Hex, zdock, RosettaDock or ClusPro. …
… based on the theories of how X-rays interact with 3-D lattices. The publication "Fundamentals of Crystallography" by C. Giacovazzo, H. L. Monaco, D. Viterbo, F …
… _TOOLKIT_ASER_DATABASE. If this points to an ASER database, the database will be opened.For example, on Windows: SET CCDC_TOOLKIT_ASER_DATABASE=X:\cdromV5??\csd …
… molecular complementarity API functions including crystal packing similarity, powder X-ray diffraction simulation and comparison, as well as conformer …
… . Motherwell, J. C. Cole. J. Appl. Cryst., 39, 910-915, 2006 [DOI: 10.1107/S0021889806042117] Structure Solution and Refinement of Tetracaine Hydrochloride from X-ray …
… ).It should also be noted that the Windows and Mac versions of GOLD do not support PVM, but can be run in parallel via GRID-based parallel processing. For GOLD 5.4 …
… In order to view scatterplots in a Web browser you must configure it to use the IsoStar client as a helper application for files with a MIME type of chemical/x …
… _cell_angle_alpha _cell_angle_beta _cell_angle_gamma _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site …
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