> I need to calculate bond lengths and angles of several compounds from
> their atomic positions and cell parameters. I know there are some programs
> that can be used to do this but none of them can give uncertainties of
> the calculated bond parameters (Of course, I will input errors for
> atom
Hi,
I found this about ORFEE:
http://www.netsci.org/Resources/Software/Struct/xray.html
DRAWCRYS (and ORFEE, have a look):
http://www.redhucyt.oas.org/RLQ/cristalografia.html
and:
ftp://ccl.osc.edu/pub/chemistry/software/SOURCES/FORTRAN/drawcrys/
ORFEE:
ftp://ccl.osc.edu/pub/chemistry/software/S
Confirmation of reading: your message -
Date:21 Dec 99 14:21
To: [EMAIL PROTECTED]
Subject: ORFEE
Was read at 17:12, 21 Dec 99.
I have updated CMPR. Documentation can be found at
http://www.ncnr.nist.gov/programs/crystallography/software/cmpr/ (and
within a day or so, the ccp14 mirrors, http://www.ccp14.ac.uk/mirror/)
For people who have not used CMPR, it reads powder data in a variety of
formats, plots data in multiple f
