Protinfo NMR

Currently, due to computational limitations, this server returns only the assigned constraints that may be used to generate the structure. These constraints may be used by software like CYANA or XPLOR-NIH to generate a structure relatively rapidly using a cluster of computers.


The chemical shifts must be supplied in NMR-Star format (BMRB provides tools for converting to this format from other popular formats). The 15N NOESY and 13C NOESY formats, as well as the format for the optional structures, are detailed in the documentation. These optional structures will be used by the Bayesian constraint assignment protocol for constructing prior probabilities. This enables refined constraint assignment and structure generation in iterative cycles.

A tar and gzipped file containing example input and output (currently only the constraints) is also provided.

NMR chemical shift file:
NMR 15N NOESY file:
NMR 13C NOESY file:
Optional structures:

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