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* symop.lib: symmetry operators -- see symlib code. Contains symmetry
operators for the 230 spacegroups listed in (and following the conventions
of) the International Tables Vol A and non-standard settings used by various
CCP4 programs. Each space group has a header line comprising
space-separated values of:
* SG number
* number of lines of symmetry equivalents (`positions' in Int Tab) (N)
* number of lines of primitive equivalents (P)
* SG `short' name; subscripts are typed as-is and a prefix `-' represents
an overbar e.g. P21/m, P-1
* point group name; the Int. Tab. name is prefixed by `PG'; contrary to the
SG name, an overbar is represented by a trailing `bar' e.g. PG4bar3m
* crystal system
* possible comments about non-standard settings
Following are N lines of symmetry equivalents, of which the first P are the
primitive ones.
* Layout:
* The symmetry operator lines are limited to 80 characters
* The elements of operator triplets are separated by commas, and triplets
are separated by `*' or newline; the translations may be before or
after the coordinate e.g. `1/2+X' or `X+1/2'
* The header lines should start in the first column and the other lines be
indented (for ease of locating the headers)
* font84.ascii: Used directly by plot84lib.f. Previously: data for creating
the binary plot84 font file in $CCP4/lib with fontpack.
* atomsf.lib, atomsf_neutron.lib: formfactors for every known atom (for SFALL,
MLPHARE, VECREF). The format of the atomsf.lib file is as follows.
1) atom type
2) atomic number, number of electrons, `c' constant for the scattering
factor
3) a(1) ... a(4)
4) b(1) ... b(4)
5) f'(Cu) f"(Cu) f'(Mo) f"(Mo)
See the sfall documentation for the equations containing the as, bs and c.
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