Commonly used UNIX variables for directories

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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 2024-09-13