Dear Spinlanders,
it has been a few years since I did my last 3D structure calculation of
peptides using NOE's, and I have not been keeping up with software
development in that area. We are now interested in the structure of a
complex between two small molecules. Back then we used xplor or
aria/cns on our SGI workstation for our calculations. In the meantime
we have moved from SGI to linux, so I am wondering which software is
available these days, in particular for docking of two small molecules
with NOE data. I am aware of cns and nih_xplor, but they are geared
towards macromolecules. Is there any software which can take 2D
integrals/peak intensities straight from topspin (we have 3.1) rather
having to go through another analysis program ?
Thanks in advance
Holger
Received on Wed May 16 2012 - 08:52:48 MST