Dear All,
It sounds quite trivial but am just wondering if babel can help. Lets say I
have a,b,c,d four atoms (or even more). I can use babel to generate Z
matirx which is internal geometry coordinates.
I have many cases when I need to find cartesian coordinate of atom 'a'
given that I know cartesian coordinate for b,c and d (other atoms too).
Does Babel or other tool helps in this regard to find the cartesian
coordinate?
Thanks for help and suggestions
regards,
Jiom
------------------------------------------------------------------------------
Dive into the World of Parallel Programming The Go Parallel Website, sponsored
by Intel and developed in partnership with Slashdot Media, is your hub for all
things parallel software development, from weekly thought leadership blogs to
news, videos, case studies, tutorials and more. Take a look and join the
conversation now. http://goparallel.sourceforge.net/
_______________________________________________
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
