jmholton

Pinned Repositories

• UnTangle

  Challenge data set for multi-conformer macromolecular model building

  Language:Shell22

• nanoBragg

  10

• bespoke_amber_restraints

  restrain an MD trajectory just enough to agree with X-ray data

  Language:Shell00

• build_pdb

  simple command-line awk programs for building and re-building protein structures in PDB format

  Language:Awk00

• converge_refmac

  run refmac5 on a crystal structure over and over, optimizing along the way

  Language:Shell00

• hydration

  taking the N out of constant NVT molecular dynamics

  Language:Shell00

• map_bender

  A program to discover and correct rubber-like motions in protein crystals

  00

• rectified_simulated_annealing

  keep only best parts of the molecule after doing a simulated annealing run, revert parts that get worse

  Language:Shell00

• smooth_pdbs

  make a series of pdb-format molecular structure files look more like each other

  Language:Shell00

• Uppsala-Software-Factory

  These are the famous Uppsala Software Factory programs, rescued into GitHub.

  Language:Fortran00

jmholton's Repositories