[Chimera-users] Edition of the pdb/trajectories via Chimera

James Starlight jmsstarlight at gmail.com
Fri Dec 1 01:42:12 PST 2017


Hi Elaine,

I thank you very much for the help!

Indeed "Change Chain IDs" has recognized correctly each of the
monomers and proposed an assignment of the unique ID for it ( I
checked initial pdb - actually there were no chain assigments within
it).

One question- is it possible to perform the same assignment
automatically using batch-chimera, providing as an input some script
file and the initial pdb ? E.g. to assign unique chain name
automatically  for each protein entities w/o identified chains.

Thank you!

James

2017-12-01 1:02 GMT+01:00 Elaine Meng <meng at cgl.ucsf.edu>:
> Hi James,
> If the PDB file or trajectory is already open in Chimera and the monomers are not bonded to each other, you could try using Change Chain IDs (in menu under Tools… Structure Editing).  Since they all have the same ID to start with, you would have to use the workaround given in the page for “Handling multiple chains with the same ID”
> <http://www.rbvi.ucsf.edu/chimera/docs/ContributedSoftware/editing/changechains.html>
>
> To open the dcd file in Chimera as a trajectory, you'd also need either a psf file or an AMBER-style prmtop file for the system.
> <http://www.rbvi.ucsf.edu/chimera/docs/ContributedSoftware/movie/framemovie.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 Nov 30, 2017, at 10:22 AM, James Starlight <jmsstarlight at gmail.com> wrote:
>>
>> Dear Chimera Users!
>>
>> I have a pdb file for the 16 monomers of the coarse-grained GPCRs and
>> its corresponded trajectory in dcd. In both files all the monomers are
>> defined as the same letter of the chain (X). My question: are there an
>> easy way to assign a unique letter to each of the monomers in the both
>> files via Chimera to facilitate the further analysis ?
>>
>> Thanks so much!
>> James
>



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