[chimerax-users] mrc to pdb

[Guillaume Gaullier]

Hello,

As Elaine said, you cannot "convert" between the two formats because they represent different things (a volume, atomic coordinates).

But you can generate a volume from atomic coordinates with the molmap command (think of it as producing a synthetic density map of the molecule): https://www.cgl.ucsf.edu/chimerax/docs/user/commands/molmap.html <https://www.cgl.ucsf.edu/chimerax/docs/user/commands/molmap.html>

The inverse task of building an atomic model from a volume and a sequence, in an automated way, is still an open problem. But research on this problem is making fast progress these days, see for instance https://github.com/3dem/model-angelo <https://github.com/3dem/model-angelo>

Cheers,

Guillaume


> On 5 Oct 2022, at 17:37, Elaine Meng via ChimeraX-users <chimerax-users at cgl.ucsf.edu> wrote:
> 
> Hi Tianming,
> No -- they are different kinds of data.  MRC is a density-map format, PDB is an atomic structure format.
> Best,
> Elaine
> -----
> Elaine C. Meng, Ph.D.                       
> UCSF Chimera(X) team
> Department of Pharmaceutical Chemistry
> University of California, San Francisco
> 
>> On Oct 5, 2022, at 6:54 AM, Tianming Qu via ChimeraX-users <chimerax-users at cgl.ucsf.edu> wrote:
>> 
>> Hi, is there any way I can convert a .mrc file to .pdb file in chimera?
>> 
>> Best,
>> Tianming 
> 
> 
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