Fourier
r.seshadri ( (no email) )
Sat, 3 Aug 1996 13:28:42 -0600
In reply to the question of Jens Trommer asking for programs for making
Fourier maps, I can strongly recommend SDS (Structure Determination Package)
from V\'aclav Petr\'i\vcek (Vaclav Petricek) in Prague. On the Silicon I use,
it occupies about 4Mb and starting from a hkl-fobs file (which I generate
from XND) it can synthesize
Fourier and Patterson maps and prepare their .ps outputs. The program comes
with excellent documentation, is fast, free and uses an interactive editor for
the unit cell contents. Best of all, you can access the Fortran source code.
SDS is an augury/portent (depending on your viewpoint) to Petrick's JANA,
which can work with space groups in 4-D. With SDS on your workstation, you
have the possibility of working with single crystal data also.
The email address is petricek@fzu.cz
Working with GSAS, off course, saves you the trouble of looking for an
external
program for Fourier/Patterson
Ram SESHADRI
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Dr. Ram SESHADRI | Phone, FAX: (+33 for France)CRISMAT ISMRA | 31-452605, 31-951600 (Office)6 Blvd M. Juin, 14050 Caen France | 31-464900 (Res)__________________________________________________________________