SOLVE / RESOLVE

SOLVE/RESOLVE electron-density map and auto-built atomic model for initiation factor 5a at a resolution of 2.1A.  Multiwavelength diffraction data courtesy of Tom Peat; refinement with Garib Murshudov's refmac5; graphics drawn with Alwyn Jones'  O
 

• New standard procedures: The best way to use SOLVE/RESOLVE now on SAD/MAD/MIR data  is: (1) edit and run one of the standard SOLVE scripts, (2) edit and run the RESOLVE_BUILD script, which does pattern-matching, the new fragment identification procedure, density modification, and iterative autobuilding. With fast model-building, the whole process takes only a few hours for a small protein and overnight to a few days for a moderate-sized one. 
• Evaluate your final model automatically: The  RESOLVE_BUILD script will automatically calculate a prime-and-switch composite omit map at the very end of model-building and  evaluate the model and give you a report on how well your model fits the map. You can also use this script to evaluate a model you built yourself.
• Local pattern matching: RESOLVE_PATTERN can identify local patterns in your map and use them to improve your phases.  Local pattern matching can make a big difference if your map is of moderate quality. This is automatically carried out using the new  RESOLVE_BUILD script.
• Fragment identification: RESOLVE can identify the presence of fragments of structure (helices, strands) in your map and use them to improve your phases.  Like local pattern matching, this can make a big difference if your map is of moderate quality. This is also automatically carried out using the new  RESOLVE_BUILD script.
• Superquick model-building: RESOLVE now can build your model at a rate of up to 1 residue every 2-3 seconds if you have a good map ("superquick_build").   Even the more thorough standard model-building in RESOLVE is now 3 times faster than earlier versions.
• Swap-space needs for SOLVE/RESOLVE: For the standard versions, 1 GB or more of swap space is recommended (700 MB minimum). On linux machines you can now run resolve_huge, and even go as high as "isizeit = 36" if you have 4 GB of swap space.
• Coming soon: The  PHENIX project (www.phenix-online.org) is a large collaborative project for  developing a comprehensive and integrated platform for determing macromolecular structures. The PHENIX software uses graphical tools to let you choose your structure determination pathway from pre-packaged modules.  The PHENIX software will take care of all the SOLVE/RESOLVE scripts and let you run SOLVE/RESOLVE from an easy-to-use GUI.
• You can give SOLVE and RESOLVE all your  MAD/SAD data and it will decide at what resolution the signal-to-noise is high enough to use for phasing. 
• SOLVE carries out all the steps of macromolecular structure determination from scaling data to calculation of an electron density map, automatically.
• RESOLVE uses statistical density modification (previously called maximum-likelihood density modification) to improve electron density maps
•  Prime-and-switch phasing in RESOLVE removes model bias from model-phased maps. See some amazing prime-and-switch examples!
•  RESOLVE automatically identifies NCS in heavy-atom sites and applies it for you.
• Version 2.06 contains all of earlier SOLVE and RESOLVE versions. Now you download SOLVE and RESOLVE both at once.
• Your version 2 license is good for all versions 2.xx of SOLVE/RESOLVE. No need for new access codes.