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
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 2025-03-21