Friends, I used Ensemble match command to calculate the 2rmsd of multiple pdb files concatenated in a single pdb file. I would like to know if there is any way to save the values (as a matrix). Precisely how to output the ensemble match values. Thanks, Bala
There is currently no way to extract that information since it is only present in the graphical user interface. In what format would you like to save the data? Is a table like the following acceptable? #0.1 #0.2 #0.3 ... #0.1 0.00 1.23 1.75 ... #0.2 1.23 0.00 2.73 ... ... In particular, are the column/row titles okay? Conrad On 1/25/2011 8:10 AM, Bala subramanian wrote:
Friends, I used Ensemble match command to calculate the 2rmsd of multiple pdb files concatenated in a single pdb file. I would like to know if there is any way to save the values (as a matrix). Precisely how to output the ensemble match values.
Thanks, Bala
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Dear Conrad, Exactly, Yes i need a table like the following. Is there any way ? On Fri, Jan 28, 2011 at 8:00 PM, Conrad Huang <conrad@cgl.ucsf.edu> wrote:
There is currently no way to extract that information since it is only present in the graphical user interface. In what format would you like to save the data? Is a table like the following acceptable?
#0.1 #0.2 #0.3 ... #0.1 0.00 1.23 1.75 ... #0.2 1.23 0.00 2.73 ... ...
In particular, are the column/row titles okay?
Conrad
On 1/25/2011 8:10 AM, Bala subramanian wrote:
Friends, I used Ensemble match command to calculate the 2rmsd of multiple pdb files concatenated in a single pdb file. I would like to know if there is any way to save the values (as a matrix). Precisely how to output the ensemble match values.
Thanks, Bala
_______________________________________________ Chimera-users mailing list Chimera-users@cgl.ucsf.edu http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users
Please try out the latest daily build of Chimera. The EnsembleMatch dialog should have a "Save..." button at the bottom, next to "Hide", that let's you save the RMSD matrix to a file. (Unless you're on Linux, in which case you may have to wait until tomorrow, as our Linux build did not succeed last night.) Conrad On 1/29/11 2:09 AM, Bala subramanian wrote:
Dear Conrad, Exactly, Yes i need a table like the following. Is there any way ?
On Fri, Jan 28, 2011 at 8:00 PM, Conrad Huang <conrad@cgl.ucsf.edu <mailto:conrad@cgl.ucsf.edu>> wrote:
There is currently no way to extract that information since it is only present in the graphical user interface. In what format would you like to save the data? Is a table like the following acceptable?
#0.1 #0.2 #0.3 ... #0.1 0.00 1.23 1.75 ... #0.2 1.23 0.00 2.73 ... ...
In particular, are the column/row titles okay?
Conrad
On 1/25/2011 8:10 AM, Bala subramanian wrote:
Friends, I used Ensemble match command to calculate the 2rmsd of multiple pdb files concatenated in a single pdb file. I would like to know if there is any way to save the values (as a matrix). Precisely how to output the ensemble match values.
Thanks, Bala
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participants (2)
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Bala subramanian -
Conrad Huang