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CSYM library


File list


The CSYM library is centred around a data file syminfo.lib which is auto-generated from sgtbx (the Space Group Toolbox of cctbx). A description of the contents of this file is given in the documentation of the Fortran API.

A particular spacegroup in a particular setting is loaded into an in-memory data structure by requesting a particular spacegroup name, number, or set of operators. See the functions ccp4spg_load_by_standard_num, ccp4spg_load_by_ccp4_num, ccp4spg_load_by_spgname, ccp4spg_load_by_ccp4_spgname and ccp4_spgrp_reverse_lookup. Information on the in-memory data structure is given in ccp4_spg.h The memory can be freed by the function ccp4spg_free.

Functions are provided to:

Symmetry operators

Symmetry operators are expressed in a variety of ways:

Check the function description for which form is expected. Often, there are alternative functions if you wish to supply the operators in a different form. There are also the following conversion functions: Note that the order of symmetry operators may be important in some cases, for example in MTZ files with a M/ISYM column where ISYM encodes the symmetry operation used.


See examples on ftp area