Author(s)

• build_one_model: Tom Terwilliger

Purpose

If you have an mtz map coefficients file and a sequence file, you can use build_one_model to just build a single model with resolve. You can also extend an existing model.

Usage

How build_one_model works:

build_one_model runs resolve model-building, by default in superquick_build mode. If you supply a model, then resolve will try to extend the ends of each chain in your model.

Output files from build_one_model

build_one_model.pdb: A PDB file with the resulting model

Examples

Standard run of build_one_model:

Running build_one_model is easy. From the command-line you can type:

phenix.build_one_model  map_coeffs.mtz \
   sequence.dat free_in=exptl_fobs_phases_freeR_flags.mtz

where exptl_fobs_phases_freeR_flags.mtz has your free R flags for refinement. If you want to supply a PDB file to extend instead you can do that:

phenix.build_one_model map_coeffs.mtz \
  sequence.dat free_in=exptl_fobs_phases_freeR_flags.mtz \
  model.pdb

Possible Problems

Specific limitations and problems:

Literature

Additional information

List of all available keywords

{{phil:phenix.command_line.build_one_model}}