Crystallography: Difference between revisions
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* [[Buildn-TAT|Model building and refinement]] | * [[Buildn-TAT|Model building and refinement]] | ||
* [[Evaluation-TAT|Model Evaluation and Interpretation]] | * [[Evaluation-TAT|Model Evaluation and Interpretation]] | ||
* [[Finding symmetry elements in P1]] | |||
== Teaching crystallography == | == Teaching crystallography == | ||
* [[Crystallography courses on the web]] | * [[Crystallography courses on the web]] | ||
* [[Test data sets]] | * [[Test data sets]] | ||
Revision as of 22:36, 21 October 2008
Crystallographic Theory
Crystallography Software
For Specific Tasks
- Data reduction
- Molecular replacement (MR)
- Substructure determination
- Experimental phasing (SIR/MIR and SAD/MAD)
- Electron density modification
- Automated Model building
- Interactive Model building
- Refinement
- Model validation
- Model Evaluation
Automated Pipelines for Structure Solution
Web services
- ARP/wARP web services (model building)
- Auto-Rickshaw (Structure determination) - see example at xds:1RQW
- Bias removal server
- York suite (Balbes, Modsearch, Zanuda)
- Diffraction Anisotropy Server
Software Packages
(large packages first)
- CCP4
- CNS
- PHENIX
- SHELX C/D/E and SHELXL (homepage at [1], overview paper)
- moleman, lsqman, ... from Uppsala Software Factory
- XDS homepage and XDSwiki
- HKL homepage
- COOT
- PyMol wiki
- O
- ARP/wARP
- SHARP homepage
- Solve/Resolve
- ...
Tricks and Tips
- Solving a structure
- Model building and refinement
- Model Evaluation and Interpretation
- Finding symmetry elements in P1