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Computational Crystallography Newsletter |
Issues
Computational Crystallography Newsletter 2013 January
Articles
cctbx tools for transparent parallel job execution in Python. I. Foundations
cctbx tools for transparent parallel job execution in Python. II. Convenience functions for the impatient.
Short communications
Phenix / MolProbity Hydrogen Parameter Update
PSI SBKB Technology Portal: A Web Resource for Structural Biologists
Fitting Tips #5: What's with water?
FAQ - I'm seeing a lot of CIF files. Are they all restraints?
Computational Crystallography Newsletter 2012 July
Articles
cctbx tools for transparent job execution on clusters
On the analysis of residual density distributions on an absolute scale
Short communications
DETAC: tools to detect alternative conformations by unrestrained refinement
ERRASER, a powerful new system for correcting RNA models
Fitting Tips #4: Rotamer correction with backrubs
Computational Crystallography Newsletter 2012 January
Articles
CCTBX tools for derivative-free optimization
phenix.find_alt_orig_sym_mate
Using force field generated models in the refinement of crystallographic structures containing carbohydrates
Viewing diffraction images in CCTBX
On contribution of hydrogen atoms to X-ray scattering
Fitting Tips #3: Importance of His flips
Computational Crystallography Newsletter 2011 July
Articles
Improved target weight optimization in phenix.refine
Mite-y lysozyme crystal and structure
Short communications
A lightweight, versatile framework for visualizing reciprocal-space data
An extremely fast spotfinder for real-time beamline applications
Hints for running phenix.mr_rosetta
Fitting Tips #2: Hi-res geometry outliers
Computational Crystallography Newsletter 2011 January
Articles
Fuzzy space group symbols: H3 and H32
Visualizing the raw diffraction pattern with LABELIT
Electron density illustrations
Maximum likelihood refinement for twinned structures
TLS for dummies
Short communications
Multi-criterion kinemage graphics in PHENIX
phenix.ensembler: a tool for multiple superposition
phenix.mr_rosetta: a new tool for difficult molecular replacement problems
Fitting Tips #1: Not 3 parallel COs in β
Computational Crystallography Newsletter 2010 July
Articles
cctbx PDB handling tools
Secondary structure restraints in phenix.refine
cctbx Spotfinder: a faster software pipeline for crystal positioning
On atomic displacement parameters (ADP) and their parameterization in PHENIX
Short communications
Non-periodic torsion angle targets in PHENIX
Model building updates & new features
Author Resources
Word template
Contact the editor: Nigel Moriarty