IUBio GIL .. BIOSCI/Bionet News .. Biosequences .. Software .. FTP

A script for averaging zillions NMR structures in a PDB file

Alexandre Bonvin abonvin at LAPLACE.CSB.YALE.EDU
Thu Aug 10 11:03:16 EST 1995

>  Does anybody out there have a script to generate an averaged structure out
> of those 20-50 structures that are quite often deposited in one file in the
> PDB ? There is an Xplor script to generate the averaged structure from the
> various NMR models as long as they're in separate files, but that wouldn't
> help with such a PDB file as it is. I would appreciate if one could send me
> (and probably others) a script  that would save the manual hand editing
> involved.

PROCHECK_NMR should do the job. It can handle PDB files with several structures  
and generates an average structure.  For info on PROCHECK check the PDB web  


| Alexandre Bonvin PhD           | Phone: (203) 432-5066                 |
| Mol. Biophys. & Biochemistry   | Fax:   (203) 432-3923                 |
| Yale University                | Email: abonvin at laplace.csb.yale.edu   |
| New Haven CT 06520-8114, USA   | http://xplor.csb.yale.edu             |

More information about the X-plor mailing list

Send comments to us at archive@iubioarchive.bio.net