Table 1. Syntax of the DSR database dsr_db.txt and dsr_usr_db.txt .

The complete syntax is explained in the supporting information.

name>	Start tag
RESI class	Required; defines the residue name of the database entry
restraints	Any restraints and comments, following the SHELXL syntax
FRAG 17 a b c	FRAG card with AFIX number and cell parameters
Atom number x y z	One isotropic atom per line, following the SHELXL syntax, except that a negative SFAC number means the atom type as atomic number
/name>	End tag; the same as the start tag but with a slash