so - in the end: 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 Webbben@salilab.org 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 >> pretty pictures of a given residue. >> >> Ben >> -- >> ben@salilab.org http://salilab.org/~ben/ >> "It is a capital mistake to theorize before one has data." >> - Sir Arthur Conan Doyle >> _______________________________________________ >> IMP-dev mailing list >> IMP-dev@salilab.org >> https://salilab.org/mailman/listinfo/imp-dev >> > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev