Commonly used UNIX variables for directories

The following directory environment variables are defined within Xplor-NIH.

C13SHIFTS
Used to set up Carbon Chemical Shift restraints (Section 23). Contains $^{13}$C random coil shifts and correlation of secondary shifts with angles.
DNA_DNA_PAIRS
Contains oriented pairs files for the DNA-DNA positional/orientational database potential (Section 29).
GAUSSIANS
Contains dihedral angle correlations for use with dihedral angle database restraints (Section 25). These files are for the Gaussian representations of the potentials of mean force.
HBDB
Contains databases for use with Hydrogen Bond Database Restraints (Section 36).
PROTSHIFTS
Contatins setup files for proton chemical shift restraints (Section 24).
QUARTS
Contains dihedral angle correlations for use with dihedral angle database restraints (Section 25). These files are for the quartic representations of the potentials of mean force.
RNA_RNA_PAIRS
Contains oriented pairs files for the RNA-RNA positional/orientational database potential (Section 29).
SAXS
Contains setup files for the SAXS potential term. This is covered in Grishaev et al. (2005), and needs an entry in this manual.
SYMMETRY
Contains data files for crystallographic refinement (Section 14).
TOPPAR
Contains topology and parameter files.
TOPPAR_C22
Contains topology and parameter based on the Charmm22 set.
XPLOR_DIR
Root directory of the Xplor-NIH distribution.

Xplor-NIH 2023-11-10