Module nom_pdb::crystallography::cryst1

Cryst1 The CRYST1 record presents the unit cell parameters, space group, and Z value. If the structure was not determined by crystallographic means, CRYST1 simply provides the unitary values, with an appropriate REMARK.

Record Format

COLUMNS DATA TYPE FIELD DEFINITION

1 - 6 Record name "CRYST1" 7 - 15 Real(9.3) a a (Angstroms). 16 - 24 Real(9.3) b b (Angstroms). 25 - 33 Real(9.3) c c (Angstroms). 34 - 40 Real(7.2) alpha alpha (degrees). 41 - 47 Real(7.2) beta beta (degrees). 48 - 54 Real(7.2) gamma gamma (degrees). 56 - 66 LString sGroup Space group. 67 - 70 Integer z Z value.

Additional References

• https://infogalactic.com/info/Hermann%E2%80%93Mauguin_notation
• https://enacademic.com/dic.nsf/enwiki/1879109

Structs

Cryst1Parser