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Use of symlib.sym in 3.1 version?

Jiang Jiansheng jiang at LAPLACE.CSB.YALE.EDU
Tue Aug 29 18:22:56 EST 1995


 

>>> I would like to know the syntex to use symlib.sym in xplor 3.1.

>>> Thanks

>>> Ramachandran Murali


>>If you would insist on using "symlib.sym" in xplor3.1,
>>try the following (ignore the parser error messages for asymmetry statements):

>>xrefine
>>   evaluate ($sg=19)       { define the space group number }
>>   @symlib.sym                { read the library }
>>   ?                                      { print out symmetry operators }
>>end

>>Jiansheng Jiang.


>>>> Use of symlib.sym wiht XPLOR 3.1:
>   Nope, parser chokes on values for symbol $sg !! Wait til XPLOR 3.n (n>1).
> -- 

>  _______________________________________________________________________  

> [ Joe Jaeger, Dept. Mol.Biop.& Biochem.,     jaeger at csbmet.csb.yale.edu ]
> [ Yale University, Bass Center,                                         ]
> [ 266 Whitney Ave                            Tel: (203) 432-5625        ]
> [ NEW HAVEN CT 06520-8114                     or: (203) 432-8972        ]
> [ U. S. A.                                   Fax: (203) 432-3282        ]
> [_______________________________________________________________________]


I am sorry if my previous message was confused to anybody.

1.  My previous hint only works with the early versions of "symlib.sym",
NOT THE CURRENT ONE ON THE X-PLOR WWW/FTP SITE.

2.  If one tries to use x-plor 3.1 with the current "symlib.sym" downloaded 

from the X-PLOR www/ftp site (IT IS NOT RECOMMENDED!),
one must define the symbol "$sg" with the space
group NAME not the number, otherwise the parser chokes. 

For example,

	evaluate ($sg="P2(1)2(1)2(1)")    { instead of  the number19 } 


3.  For the latest versions of x-plor (later than 3.7) both the space group
names and numbers are acceptable for the symbol "$sg".

Jiansheng Jiang.






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