[phenixbb] real space refinement

Pavel Afonine pafonine at lbl.gov
Mon Jul 28 06:34:35 PDT 2014


All right let me know if anything performs better than 
phenix.real_space_refine and I will do my best to catch up -;)
Pavel

P.S.: phenix.real_space_refine is still under active development.

On 7/28/14, 9:31 AM, George Devaniranjan wrote:
> Hi Pavel,
>
> Thank you, I have also tried COOT but I wanted to know whether anyone 
> had used (with success ) other similar tools.
>
> Why? Mostly curiosity :) but also to do a comparison I guess of 
> performance.
>
> Thank you, I will check some of the others you have mentioned.
>
> George
>
>
> On Mon, Jul 28, 2014 at 9:29 AM, Pavel Afonine <pafonine at lbl.gov 
> <mailto:pafonine at lbl.gov>> wrote:
>
>     Hi George,
>
>     as far as I know phenix.real_space_refine is the only user-exposed
>     real-space refinement utility in Phenix. You can think of Tom's
>     morphing as a kind of real-space refinement (phenix.morph_model).
>     Also, you can think of mmtbx.lockit as a simplest version of
>     phenix.real_space_refine.
>
>     Outside Phenix I would say Coot, Chimera, HermiteFit, ... there
>     are many more and Google is your friend to find them.
>
>     Just curious: why?
>
>     Pavel
>
>
>     On 7/28/14, 9:19 AM, George Devaniranjan wrote:
>>     Hi,
>>
>>     I know this is going to sound blasphemous in phenix (my apology
>>     particularly to Pavel) but is there other s/w that does similar
>>     things to phenix.real_space_refine ?
>>
>>     I used that already (works very well) but was wondering if there
>>     was anything similar out there to do a comparison.
>>
>>     Thank you,
>>     George
>>
>>
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>
>

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