Re: [PyMOL] Problems loading new mrc-format electron density files into pymol

[Thomas H. <tho...@sc...>]

Hi all,

Summary after off-list discussion with Mike: His files have cell angles of zero degrees, which PyMOL will not accept. We'll change that in the next release so that if only cell edge lengths but no angles are provided, PyMOL assumes an orthogonal cell (all angles 90 degrees).

Cheers,
  Thomas

On 06 Oct 2015, at 08:37, Michael F. Summers <su...@um...> wrote:

> Colleagues:
> 
> In the past, I was able to load MRC format electron density maps into pymol without problems.  However, files I’ve received from collaborators, saved
> with a new version of EMAN2, don’t load properly into pymol.  The data are loaded, but the unit cell information is not read, so the dimensions of the density map are incorrect. The maps DO load properly into Chimera … but I’d prefer to continue using pymol.  Any help would be appreciated.  From my limited ability to look a the content of the files, it appears that the header information of the new files is stored differently.
> 
> Alternatively, in the short term, would it be possible to load the .mrc files and then manually adjust the unit cell dimensions in pymol?
> 
> I can provide the .mrc files if someone would like to take a look at them. They are too large to attach to this email (they bounced back from the pymol mail server).
> 
> 
> Thanks in advance for any help,
> 
> 
> Mike
> 
> Michael F. Summers
> HHMI, UMBC

-- 
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.