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The multi‐drop approach: more efficient screening of crystallization conditions
Author(s) -
Bruns C. M.,
Karplus P. A.
Publication year - 1995
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889894011891
Subject(s) - crystallization , drop (telecommunication) , materials science , thermodynamics , chemistry , computer science , physics , telecommunications
objects. The application programmer, who wishes to make use of XDL_VIEW routines, will need to be familiar with the material in the first sections of Volume 2 and will use the reference material in the first sections of Volume 3. The later sections of Volumes 2 and 3 are for the programmer who wishes to write new view objects or who wishes to understand more about the design of the XDL_VIEW routines. There are basically three machine-dependent features required by the package. They are (1) the relationship between the Fortran-called subroutines and the corresponding C function names; (2) the way in which character strings are passed from Fortran to C; and (3) the signal-handling routines available. The options for these are set by giving appropriate values to flags in the file xdl_systyp.h. There is also a flag for VMS systems. The routines have been used on both VMS and Unix-based systems. The Unix-based systems include those of Silicon Graphics, Convex, Alliant, Sun and Hewlett-Packard. The XDL_VIEW toolkit is normally distributed as part of the CCP4 Suite (Collaborative Computational Project No. 4, 1994) or the Daresbury Laboratory Laue Software Suite (Campbell et al., 1987; Helliwell et al., 1989) and is currently licenced free to academic users. It may also be obtained separately if required subject to the same licence agreement. Having signed the licence agreement, it may be obtained via Internet ftp from anonymous@ccp4.dl.ac.uk:pub/ccp4. Further information may be obtained from the author (email: j.w.campbell@dl.ac.uk).