qFit Web Server

qFit: Multiconformer modeling by constrained fitting of rotamer occupancies.


e-mail address: (qFit will send a PDB file here.)

Check to also receive the corresponding MTZ file with map coefficients (zipfile attachment):
(Note: some e-mail servers are set up to remove zipfile attachments.)

Select MTZ file to upload:
MTZ file (CCP4 format):
Fobs =
SIGFobs =
FREE = (Ignored for now)

Select PDB file:
PDB file:

Note on usage:
Best results are obtained at resolutions better than 2.1A (or so). If you can refine your coordinates with the following command:
phenix.refine rfl.mtz xyz.pdb refinement.input.xray_data.labels=Fobs,SIGFobs
where 'rfl.mtz', 'xyz.pdb', 'Fobs', and 'SIGFobs' are the files and parameters you put in the boxes above, you'll have a good chance the software can handle your files. We try to automatically refine your included ligands with phenix.elbow.
Please report problems, unexpected behavior, etc. to vdbedem _ slac _ stanford _ edu.

Version 0.5Beta -- Last update: 03/12/2012