MIFit+
MIFit+ is a automatic macromolecular
crystal structure solution software suite. Running on both Windows and Linux
platforms, MIFit+ includes the MIFit program for crystallographic model-building and
the MIExpert program for running external crystallographic calculations.
MIExpert provides robust 'expert' management of crystallographic calculations including image data processing, SAD phasing, molecular replacement and refinement. MIExpert includes a pipeline process for delivering prerefined protein models and maps for co-crystal structure determination plus a tool for ligand-density docking.
MIFit+ features include:
- Reads diffraction data in CCP4 (mtz) and mmCIF formats and density maps in CCP4 and xfit map formats
- Ligand dictionary editor to set refinement restraints with data import in mmCIF, PDB, MOL, and SMILES formats
- Built-in automatic ligand density docking
- A tool for efficiently and accurately overlapping multiple ligands in a target site
- Expert systems for:
- automated image data processing with d*TREK
- automatic protein:ligand structure solution
- molecular replacement allowing searches over multiple models and multiple space groups
- refinement with automatic error checking and result collection
- Use of industry standard CCP4 and SHELX computation programs (not included) as well as proprietary fitting algorithms
- Runs on Windows and Linux