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GeNMR
GeNMR method (GEnerate NMR structures) is the first fully automated template-based method of protein structure determination that utilizes both NMR chemical shifts and NOE -based distance restraints.
In addition to the template-based approach, the GeNMR webserver also offers an ''ab initio'' protein folding mode that starts folding from an extended structure. The GeNMR web server produces an ensemble of PDB coordinates within a period ranging from 20 minutes to 4 hours, depending on protein size, server load, quality and type of experimental information, and selected protocol options. GeNMR webserver is composed of two parts, a front-end web-interface (written in Perl and HTML) and a back-end consisting of eight different alignment, structure generation and structure optimization programs along with three local databases.
==GeNMR input==
GeNMR accepts and processes backbone and side chain 1H, 13C or 15N chemical shift data of almost any combination (HA only, HN only, HA+HN only, HA+HN+sidechain H, CA only, CA+CB only, CA+CO only, HA+CA+CB, HN+CA+CB, HN+15N only, HN,+15N+CA, HN+15N+CA+CB, etc.). This allows GeNMR to handle small peptides (where only H shifts are typically measured) to large proteins (where only N or C shifts might be available).
The input files must include chemical shift data in (BMRB NMR-STAR 2.1 ) format and distance restraints in (XPLOR )/(CNS ) format ((see more info here )). The minimum sequence length is 30 residues.
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