[Chimera-users] calculate density from an AA model

[Tamas Hegedus]

Dear Elaine,

Thanks, it helped!


On 09/06/2018 06:47 PM, Elaine Meng wrote:
> Hi Tamas,
> See command “molmap”
> <http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/molmap.html>
>
> Also, fitting atoms to a density map (Fit in Map GUI or “fitmap” command) has an option to simulate a map from the atoms and do map-map fitting.
> <http://www.rbvi.ucsf.edu/chimera/docs/ContributedSoftware/fitmaps/fitmaps.html>
> <http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/fitmap.html>
>
> I hope this helps,
> Elaine
> -----
> Elaine C. Meng, Ph.D.
> UCSF Chimera(X) team
> Department of Pharmaceutical Chemistry
> University of California, San Francisco
>
>> On Sep 6, 2018, at 2:48 AM, Tamas Hegedus <tamas at hegelab.org> wrote:
>>
>> Hi,
>> Is there an option (command, tool) in Chimera to calculate the theoretical electrondensity map for an all atom protein model?
>>
>> Similar to the MDFF tool in VMD.
>> https://www.ks.uiuc.edu/Training/Tutorials/science/mdff/tutorial_mdff-html/node4.html#SECTION00041000000000000000
>>
>> Thanks,
>> Tamas

-- 
Tamas Hegedus, PhD
Senior Research Fellow
MTA-SE Molecular Biophysics Research Group
Hungarian Academy of Sciences  | phone: (36) 1-459 1500/60233
Semmelweis University          | fax:   (36) 1-266 6656
Tuzolto utca 37-47             | mailto:tamas at hegelab.org
Budapest, 1094, Hungary        | http://www.hegelab.org