Dear Amna (?),
2012/11/12 amna khan <amnakhan...@gmail.com>
> i have docked ligand with protein and final docked protein containing
> ligand conformation have been generated into one file. Now for this
> docked ligand-protein structure i want to calculate the electron dennsity
> map by pymol.
>
>
If I understand correctly, what you are doing does not make any sense (I am
a protein crystallographer...)
To the best of my knowledge, what you are trying to do is not possible.
With best intentions,
Folmer
>
>
> On Sun, Nov 11, 2012 at 5:22 PM, Folmer Fredslund <folm...@gmail.com>wrote:
>
>> Dear Amna (?),
>>
>>
>> 2012/11/11 amna khan <amnakhan...@gmail.com>
>>
>>> hi,
>>>
>>> i want to calculate the electron density maps for my docked protein from
>>> autodock4.2, when i load. fld.maps file generated by autodock and my docked
>>> protein at same time , no maps are generated.
>>>
>>
>>
>> 1. electron density maps are calculated from experimental data and model
>> phases. No computer program will ever give you any (real) electron density.
>> I think you are confusing the terms here.
>>
>> 2. Are you trying to dock a ligand, or dock two proteins together? There
>> is a very nice plugin (http://www.pymolwiki.org/index.php/Autodock_plugin)
>> by Daniel Seeliger. I would use that.
>>
>> Hope this helps
>>
>> Folmer Fredslund
>>
>>
>>
>>
>>
>>
>>
>>>
>>> please help
>>>
>>> regards
>>>
>>>
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>>
>>
>>
>> --
>> Folmer Fredslund
>>
>>
>
--
Folmer Fredslund
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