Subject: PDB-entry and nmr-constraint-file

From: <[email-masked]>
Date: Thu, 3 Feb 1994 14:42:41 +0100

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

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=-=                            Heiko Schinke                            =-=
=-=    Martin-Luther-University, Dept. of Biochemistry/Biotechnology    =-=
=-=              P. O. Box 8, D-06099 Halle/Saale, Germany              =-=
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=-=     Phone: ++49/345/617242                 FAX: ++49/345/647161     =-=
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=-=           E-Mail: [email-masked]             =-=
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