did you change write_pdb to support creating on Atoms using the create
function ?
it still does not work for me ..... :)
On Aug 7, 2009, at 11:49 AM, Dina Schneidman wrote:
yes, that's of course the ultimate solution.
I wanted to do that, however changed my mind when I saw the size of
this dictionary.
It seems not reasonable to load it for each PDB parsing.
However I do think it will be nice to have it as optional.
On Fri, Aug 7, 2009 at 11:47 AM, Ben Webb<> wrote:
On 08/07/2009 11:42 AM, Dina Schneidman wrote:
Do you mean to his dictionary of chemical components?
www.wwpdb.org/ccd.html
Yes, that looks about right. Their Ligand Expo tool will even give
you