Since I am still developing the version of shelxe that does autotracing, it is not yet on the shelx download site, but it is available from me by email request. You will also need shelxc and shelxd. It appears to perform best (in comparison with other programs) when the phase information is weak (e.g. S-SAD or a MR solution for a small fraction of the structure, as in Arcimboldo where it starts from a couple of alpha-helices) and the resolution of the native data is about 2.5A or better. For details of how it works, see Acta Cryst. D66 (2010) 479-485 (open access).
George Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University of Goettingen, Tammannstr. 4, D37077 Goettingen, Germany Tel. +49-551-39-3021 or -3068 Fax. +49-551-39-22582 On Mon, 1 Nov 2010, Rojan Shrestha wrote: > Hello > > > > I have been using ARP/WRAP to trace the initial model. Now, I am interested > to use SHELX for this purpose. > > > > Does somebody know that which package of SHELX can be used as the auto > tracing of main chain? > > > > Regards, > > > > Rojan > >
