ProFit

Description

ProFit is designed to be the ultimate protein least squares fitting program. It has many features including flexible specification of fitting zones and atoms, calculation of RMS over different zones or atoms, RMS-by-residue calculation, on-line help facility, etc.

Some comments from users:

A user from Cambridge
Just downloaded ProFit on the recommendation of a collegue and got the answer I wanted within 5 minutes, what a fantastic program, easy to 'install' and elegant and simple syntax (can you tell I'm not used to this!!!).

A user from Los Alamos
Following the instructions in the on-line documentation, I was able to quickly compute the rmsd between structures in two pdb files.... Thank you for offering this program for use by the research community.

A user from the University of Chicago
Thanks a lot for writing such an useful piece of software and more importantly for documenting it and providing it for our use.

You can read the README file before downloading.

Documentation

You can read the Full ProFit documentation online or as a PDF file.

FAQs and notes

Here is a list of general frequently asked questions.

Important warning about using HETATMs and changes in ProFitV2.2!

Download

ProFit is freely available for use by not-for-profit organisations and for commercial organisations (providing they inform the author that they are using it). It may not be distributed without the author's permission, but must be obtained from this site. It is supplied as a gzipped tar file of source code and as an Linux binary.

Bernhard Rupp has kindly provided a ZIP file of ProFit compiled for Windows (Win32). This is only available for Version 2.3 of ProFit.

Updates

For information on updates, subscribe to our RSS NewsFeed.

Acknowledgements

Development of V2.6 performed by Dr. Craig T. Porter has been funded by the BBSRC.

16.06.2008

ProFit now has more than 4600 registered users!

NEW! ProFit V2.6 (released 16.06.08)

V2.6 addresses a whole host of fixes and small new features requested by users:

  • Can centre the fitting on the CofG of a user-specified residue rather than on the fitting zones (SETCENTRE)
  • Can write the whole of a PDB file instead of just the ATOM/HETATM records (HEADER)
  • Can delete zones (DELZONE/DELRZONE)
  • Can run scripts (SCRIPT)
  • Can specify zones using the B-value column (BZONE)
  • Can print distances between equivalenced atoms (PAIRDIST)
  • Can ignore atom pairs where distance is greater than a cutoff in calculating RMSD (DISTCUTOFF)
  • Can read lower occupancy atoms (OCCRANK)
  • RESIDUE command now indicates atoms either wholly or partly outside any cutoff specified by DISTCUTOFF
  • Handles lower-case chain names
  • Checks for overlapping zones
  • Checks sequences read with READALIGNMENT
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