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Re: [IMP-dev] Atom::create



yes, check it with test_element.py in atom/tests

On Fri, Aug 7, 2009 at 11:56 AM, Keren Lasker<> wrote:
> 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 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
>>> pretty pictures of a given residue.
>>>
>>>       Ben
>>> --
>>>                       http://salilab.org/~ben/
>>> "It is a capital mistake to theorize before one has data."
>>>       - Sir Arthur Conan Doyle
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