Dear All, I just cut out a fragment of chain and the corresponding electron density from the whole molecule. Will you please give me some suggestion on how to edit the attached file so that those electron density not from the protein fragment can be erased? Or do you have other methods to produce high quality figure which just shows the fragment chain and the fragment eletron density? Cheers, Dialing
On Tue, Feb 28, 2012 at 3:44 PM, Dialing Pretty
Will you please give me some suggestion on how to edit the attached file so that those electron density not from the protein fragment can be erased? Or do you have other methods to produce high quality figure which just shows the fragment chain and the fragment eletron density?
You can use phenix.cut_out_density to do this. The 'isomesh' command in PyMOL also offers the ability to only draw mesh within a specified distance of the selection of interest. However, my impression was that this practice is somewhat frowned upon - it is better to display the actual context of the map instead of cutting out an idealized portion, which might be more pleasant to look at but can often be misleading. The image you attached is already showing a very clean map that fits the peptides displayed very well; I don't think it's necessary to clarify it further by reducing the amount of information it conveys. But it may just be a matter of personal taste. -Nat
Dialing,
I agree with Nat. Removing density from the map just to generate a nice
figure is not a good idea. Why not generate an image showing the
neighboring chains as well, or zoom in further?
Also, how did you calculate this map? Is it a low resolution,
model-building map? Or is it a fully refined model-map?
Sincerely,
Kelly Daughtry
*******************************************************
Kelly Daughtry, Ph.D.
Post-Doctoral Fellow, Raetz Lab
Biochemistry Department
Duke University
Alex H. Sands, Jr. Building
303 Research Drive
RM 250
Durham, NC 27710
P: 919-684-5178
*******************************************************
On Tue, Feb 28, 2012 at 6:53 PM, Nathaniel Echols
On Tue, Feb 28, 2012 at 3:44 PM, Dialing Pretty
wrote: Will you please give me some suggestion on how to edit the attached file so that those electron density not from the protein fragment can be erased? Or do you have other methods to produce high quality figure which just shows the fragment chain and the fragment eletron density?
You can use phenix.cut_out_density to do this. The 'isomesh' command in PyMOL also offers the ability to only draw mesh within a specified distance of the selection of interest.
However, my impression was that this practice is somewhat frowned upon - it is better to display the actual context of the map instead of cutting out an idealized portion, which might be more pleasant to look at but can often be misleading. The image you attached is already showing a very clean map that fits the peptides displayed very well; I don't think it's necessary to clarify it further by reducing the amount of information it conveys. But it may just be a matter of personal taste.
-Nat _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
Dialing, you can use phenix.map_box to cut out a model and corresponding map in a box, and then it will output the map in X-plor or CCP4 formats so you can load this map into Pymol. Pavel On 2/28/12 3:44 PM, Dialing Pretty wrote:
Dear All,
I just cut out a fragment of chain and the corresponding electron density from the whole molecule.
Will you please give me some suggestion on how to edit the attached file so that those electron density not from the protein fragment can be erased? Or do you have other methods to produce high quality figure which just shows the fragment chain and the fragment eletron density?
Cheers,
Dialing
Dear All, Will you please tell me an effective method to convert RCSB mmCIF file into MTZ file? Cheers, Dialing
Hi, it is phenix.cif_as_mtz or whatever the equivalent is in the GUI: http://phenix-online.org/documentation/cif_as_mtz.htm Pavel On 2/28/12 5:22 PM, Dialing Pretty wrote:
Dear All,
Will you please tell me an effective method to convert RCSB mmCIF file into MTZ file?
Cheers,
Dialing
Dear All, Will you please remind me the command or tool to calculate the average B factor for the whole protein or a fragment of the whole protein? Cheers, Dialing
Will you please remind me the command or tool to calculate the average B factor for the whole protein or a fragment of the whole protein?
phenix.refine log file has it. Also, phenix.model_vs_data outputs it. Also, model_statistics=true of phenix.pdbtools will give it to you. Pavel
participants (4)
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Dialing Pretty
-
Kelly Daughtry
-
Nathaniel Echols
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Pavel Afonine