[Chimera-users] About direct fetching biological assemblies into Chimera

[Tom Goddard]

Hi Darrell, Boaz,

  I made a few improvement to the fetching of PDB biological unit files that will be in tonight’s daily build.

1) Made fetching biounit give each assembly a separate top level model id number and separate color.  Before all the assemblies were grouped together in Model Panel, and now each assembly is on a separate line in Model Panel.

2) Renamed biounit file type and prefix from pdbbuID to biounitID.  So use Chimera command “open biounitID:1hho”.

3) Allowed specifing a specific biounit by number using pdb id plus "." followed by number, eg. 3fad.2.  This works in the Fetch by Id dialog and on the command-line.  Also to fetch a few different biounits you can use 3xyz.1.3.8 with each . specifying another assembly number.  Used "." instead of comma since commas separate multiple identifiers in the fetch dialog.

	Tom


On Jun 3, 2014, at 5:52 AM, Boaz Shaanan <bshaanan at bgu.ac.il> wrote:

> Hi Tom,
> 
> This is a nice addition but can you ALSO give the option of fetching just one of the biological assemblies? It is my experience that biological assemblies for a particular pdb entry consist of one correct assembly, in the sense of biological function corresponding to the description given by the depositors and other assemblies. I usually flip between the assemblies on the RCSB website before deciding which one to fetch. With your new addition this of course can all be done now in Chimera but if possible, I'd rather not waste time and disk space with meaningless assemblies. What do you think?
> 
>   Cheers,
> 
>         Boaz