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.

Online Server

An online server is now available which provides access to basic simple functionality of ProFit.

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.

As of V3.1, a Windows version is fully supported. We thank Bernhard Rupp who previously provided a Windows version of ProFitV2.3.

Updates

For information on updates, subscribe to our RSS NewsFeed.

Acknowledgements

Development of V2.6-V3.1 performed by Dr. Craig T. Porter has been funded by the BBSRC.

NEW! ProFit V3.1 (released 03.04.2009)

V3.1 Adds Windows support. You can now download a Windows executable or compile the source for Windows yourself.

V3.1 also fixes a small bug in NOFIT support and with a problem in specifying 3-letter atom names in the ATOMS and RATOMS commands.

27.02.2009

ProFit now has more than 5000 registered users!

ProFit V3.0 (released 27.02.09)

V3.0 addresses a number of new features and fixes mostly related to multiple structure and multiple chains as well as a number of minor fixes and new features requested by users:

  • Multiple structure fitting now gives RMSD to first mobile structure by default.(SETREF)
  • Calculation of the averaged reference structure for multiple structure fitting is now weighted by the number of mobile structures.(WTAVERAGE)
  • Can fit multiple structures in order of RMSD.(ORDERFIT)
  • Can run an all vs all comparison of mobile structures. (ALLVSALL)
  • Can match symmetrical atoms.(SYMMATM)
  • Can perform iterative fitting on structures with more than one chain.
  • Can read PIR alignments with more than one chain.(READALIGN)
  • Can align structures with more than one chain.(ALIGN)
  • Can output fitting zones as an alignment.(PRINTALIGN)
  • Added support for GNU Readline library.
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