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Re: [IMP-dev] radii and read pdbs



I think we can simply add additional function: read_pdb_and_add_radii
that will do what the name suggests :)

On Sat, Oct 30, 2010 at 6:45 PM, Daniel Russel <> wrote:
> Hmmm, good point. Not sure supporting static executables is something to use to guide interface changes. We could just have read_pdb catch the exception as a hack to deal with incomplete IMP setups. BTW, there is now a function to set set search path for data at run time.
>
>
> On Oct 30, 2010, at 11:12 AM, Dina Schneidman wrote:
>
>> In that case any application will require the parameter files and
>> handling the paths to them.
>> I specifically added another way of adding radii to avoid dealing with
>> those files (applications/saxs/profile.cpp).
>>
>> On Sat, Oct 30, 2010 at 9:31 AM, Daniel Russel <> wrote:
>>> Given that
>>> - doing almost anything useful requires adding radii to atoms
>>> - we currently have only one way to do that
>>> - it generally doesn't matter what radii we use for atoms for most of what we do
>>> - one can always overwrite the radii with other values if one wants other values
>>> I propose the read_pdb function add radii to the atoms it creates.
>>>
>>> Comments?
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>>> 
>>> https://salilab.org/mailman/listinfo/imp-dev
>>>
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