From schinke -A_T- biochemtech.uni-halle.d400.de Thu Feb 3 09:51:18 1994 Received: from ixgate01.dfnrelay.d400.de for schinke |-at-| biochemtech.uni-halle.d400.de by www.ccl.net (8.6.4/930601.1506) id JAA14963; Thu, 3 Feb 1994 09:25:41 -0500 From: Received: from ixgate02.dfnrelay.d400.de by ixgate01.dfnrelay.d400.de with SMTP (PP); Thu, 3 Feb 1994 14:47:22 +0100 X400-Received: by mta d400relay in /PRMD=dfnrelay/ADMD=d400/C=de/; Relayed; Thu, 3 Feb 1994 14:44:05 +0100 X400-Received: by /PRMD=UNI-HALLE/ADMD=D400/C=DE/; Relayed; Thu, 3 Feb 1994 14:42:41 +0100 Date: Thu, 3 Feb 1994 14:42:41 +0100 X400-Originator: schinke&$at$&biochemtech.uni-halle.d400.de X400-Recipients: non-disclosure:; X400-MTS-Identifier: [/PRMD=UNI-HALLE/ADMD=D400/C=DE/;mlumta1061940203144241-Bxr] X400-Content-Type: P2-1984 (2) Message-ID: <940203144240*/S=schinke/OU=biochemtech/PRMD=UNI-HALLE/ADMD=D400/C=DE/:~at~:MHS> To: chemistry(+ at +)oscsunb.ccl.net, dibug(+ at +)comp.bioz.unibas.ch, sybyl \\at// quant.chem.rpi.edu Subject: PDB-entry and nmr-constraint-file Dear Proteinmodellers, can anybody help with a protein-NMR-constraint-file? The following is my problem: I do some molecular modelling studies on the protein 3CTI, using the structure available in the brookhaven protein data bank. Also available are the NMR-constraints for this dataset, unfortunately in a format I dont't understand ("extended version of X-PLOR"). But to reduce the computation time I want use this constraint file. Is there any possibility to use this file with the programs SYBYL or INSIGHT? Or are there any other programs available, knowing this fileformat? Or the best way: Is there anybody in the world using X-PLOR AND SYBYL/NMRI or INSIGHT and could please convert the pdb-file + the constraint-file in a format readable by SYBYL or Insight? If any of the authors of this structure (M. Nilges, J. Habazettl, A. T. Bruenger, T. A. Holak) read this mail, please is this constraint-file available in any other format? Any help is greatly appreciated. Thank you very much. With best regards, H. Schinke =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-= =-= Heiko Schinke =-= =-= Martin-Luther-University, Dept. of Biochemistry/Biotechnology =-= =-= P. O. Box 8, D-06099 Halle/Saale, Germany =-= =-= =-= =-= Phone: ++49/345/617242 FAX: ++49/345/647161 =-= =-= =-= =-= E-Mail: schinke ":at:" biochemtech.uni-halle.d400.de =-= =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=