Skip to content

vanbenschoten/tls2xyz

Repository files navigation

#Introduction This repository contains various scripts used in conjunction with the phenix.tls_as_xyz tool described in Urzhumtsev et al (Acta Crystallographica Section D, 2015).

#Contents: tls2xyz_run.py: Early-stage phenix.tls_as_xyz tool for analyzing multiple CRYST1 groups

tls_as_xyz.py: Python library for generation of random TLS ensembles

tls_as_xyz_sequential.py: Python library for generation of TLS ensembles sequentially sampled along separated T and L tensors.

tls_sequential.py: Wrapper script for generating PDB-formatted sequential TLS sampling models

tls_parallel: SGE job submission script

#Authors Andrew Van Benschoten (andrew.vanbenschoten@ucsf.edu)

About

Code for TLS ensemble generator

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published