sci-chemistry
jlec@gentoo.org
Numbat is a user friendly software that fits dX-tensor to a set of PCS
measurements and a structure from a PDB file. It has also been designed to
assist in the semi automatic process of PCS assignment. A detailed description
of the software can be found in this publication:
Christophe Schmitz, Mitchell J. Stanton-Cook, Xun-Cheng Su, Gottfried Otting,
and Thomas Huber (2008). Numbat: an interactive software tool for fitting
Δχ-tensors to molecular coordinates using pseudocontact shifts. Journal of
Biomolecular NMR. 41:179-189.